NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14163 | 1wfv | 10029 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 17.034 -29.309 -9.905 2 HA2 GLY 1 1HA GLY 1 17.053 -29.213 -7.386 3 HA3 GLY 1 2HA GLY 1 18.795 -29.051 -7.547 4 H SER 2 H SER 2 16.116 -27.527 -9.321 5 HA SER 2 HA SER 2 17.326 -24.919 -8.707 6 HB2 SER 2 1HB SER 2 15.702 -25.948 -11.005 7 HB3 SER 2 2HB SER 2 15.680 -24.224 -10.637 8 HG SER 2 HG SER 2 18.052 -25.731 -11.016 9 H SER 3 H SER 3 15.829 -23.094 -8.388 10 HA SER 3 HA SER 3 13.156 -23.741 -7.464 11 HB2 SER 3 1HB SER 3 15.283 -22.662 -5.602 12 HB3 SER 3 2HB SER 3 13.556 -22.641 -5.242 13 HG SER 3 HG SER 3 14.975 -25.006 -5.888 14 H GLY 4 H GLY 4 11.764 -22.058 -7.672 15 HA2 GLY 4 1HA GLY 4 12.004 -19.412 -7.409 16 HA3 GLY 4 2HA GLY 4 12.807 -19.662 -8.952 17 H SER 5 H SER 5 10.137 -18.441 -7.922 18 HA SER 5 HA SER 5 8.098 -19.949 -9.231 19 HB2 SER 5 1HB SER 5 8.058 -17.036 -8.408 20 HB3 SER 5 2HB SER 5 6.655 -18.042 -8.771 21 HG SER 5 HG SER 5 7.551 -19.421 -6.988 22 H SER 6 H SER 6 6.696 -18.828 -10.939 23 HA SER 6 HA SER 6 8.476 -18.002 -13.114 24 HB2 SER 6 1HB SER 6 6.596 -18.590 -14.603 25 HB3 SER 6 2HB SER 6 7.044 -19.939 -13.560 26 HG SER 6 HG SER 6 5.271 -19.490 -12.266 27 H GLY 7 H GLY 7 8.391 -16.033 -14.029 28 HA2 GLY 7 1HA GLY 7 7.126 -14.099 -14.752 29 HA3 GLY 7 2HA GLY 7 6.137 -14.271 -13.310 30 H GLN 8 H GLN 8 9.206 -13.187 -14.580 31 HA GLN 8 HA GLN 8 10.166 -12.248 -12.031 32 HB2 GLN 8 1HB GLN 8 11.152 -12.016 -14.862 33 HB3 GLN 8 2HB GLN 8 11.899 -11.096 -13.562 34 HG2 GLN 8 1HG GLN 8 12.060 -13.425 -12.397 35 HG3 GLN 8 2HG GLN 8 11.890 -14.035 -14.042 36 HE21 GLN 8 1HE2 GLN 8 13.737 -14.437 -15.000 37 HE22 GLN 8 2HE2 GLN 8 15.230 -13.608 -14.739 38 H ASP 9 H ASP 9 8.410 -10.892 -11.404 39 HA ASP 9 HA ASP 9 7.639 -8.632 -12.974 40 HB2 ASP 9 1HB ASP 9 7.193 -8.706 -10.021 41 HB3 ASP 9 2HB ASP 9 6.111 -8.173 -11.305 42 H PHE 10 H PHE 10 7.671 -6.402 -11.732 43 HA PHE 10 HA PHE 10 10.330 -5.507 -11.757 44 HB2 PHE 10 1HB PHE 10 8.058 -4.081 -10.377 45 HB3 PHE 10 2HB PHE 10 9.476 -3.372 -11.144 46 HD1 PHE 10 1HD PHE 10 6.274 -5.086 -11.773 47 HD2 PHE 10 2HD PHE 10 9.515 -2.903 -13.461 48 HE1 PHE 10 1HE PHE 10 5.005 -4.826 -13.865 49 HE2 PHE 10 2HE PHE 10 8.251 -2.639 -15.555 50 HZ PHE 10 HZ PHE 10 5.993 -3.601 -15.759 51 H ASP 11 H ASP 11 10.972 -3.985 -9.728 52 HA ASP 11 HA ASP 11 11.793 -5.791 -7.711 53 HB2 ASP 11 1HB ASP 11 12.938 -3.623 -8.476 54 HB3 ASP 11 2HB ASP 11 11.801 -2.793 -7.417 55 H TYR 12 H TYR 12 10.637 -6.557 -6.082 56 HA TYR 12 HA TYR 12 8.168 -5.246 -5.298 57 HB2 TYR 12 1HB TYR 12 9.427 -7.899 -4.634 58 HB3 TYR 12 2HB TYR 12 8.022 -7.304 -3.757 59 HD1 TYR 12 1HD TYR 12 6.307 -6.153 -5.728 60 HD2 TYR 12 2HD TYR 12 8.791 -9.590 -6.067 61 HE1 TYR 12 1HE TYR 12 4.831 -7.039 -7.486 62 HE2 TYR 12 2HE TYR 12 7.324 -10.485 -7.826 63 HH TYR 12 HH TYR 12 4.267 -9.009 -8.595 64 H PHE 13 H PHE 13 9.022 -3.376 -4.290 65 HA PHE 13 HA PHE 13 10.426 -3.857 -1.750 66 HB2 PHE 13 1HB PHE 13 11.242 -1.604 -1.866 67 HB3 PHE 13 2HB PHE 13 11.525 -2.352 -3.435 68 HD1 PHE 13 2HD PHE 13 9.060 -0.224 -1.633 69 HD2 PHE 13 1HD PHE 13 10.844 -1.267 -5.354 70 HE1 PHE 13 2HE PHE 13 7.855 1.623 -2.725 71 HE2 PHE 13 1HE PHE 13 9.643 0.579 -6.452 72 HZ PHE 13 HZ PHE 13 8.145 2.026 -5.137 73 H THR 14 H THR 14 9.745 -2.751 0.137 74 HA THR 14 HA THR 14 6.865 -2.276 0.188 75 HB THR 14 HB THR 14 7.146 -2.284 2.669 76 HG1 THR 14 1HG THR 14 9.354 -3.313 3.191 77 HG21 THR 14 1HG2 THR 14 7.802 -4.729 2.806 78 HG22 THR 14 2HG2 THR 14 8.120 -4.646 1.073 79 HG23 THR 14 3HG2 THR 14 6.495 -4.341 1.687 80 H VAL 15 H VAL 15 5.994 -0.461 1.413 81 HA VAL 15 HA VAL 15 7.729 1.917 1.244 82 HB VAL 15 HB VAL 15 4.740 1.757 0.836 83 HG11 VAL 15 1HG1 VAL 15 4.661 3.920 1.323 84 HG12 VAL 15 2HG1 VAL 15 6.398 3.939 1.633 85 HG13 VAL 15 3HG1 VAL 15 5.788 4.242 0.006 86 HG21 VAL 15 1HG2 VAL 15 5.258 2.449 -1.464 87 HG22 VAL 15 2HG2 VAL 15 6.981 2.350 -1.096 88 HG23 VAL 15 3HG2 VAL 15 5.987 0.894 -1.063 89 H ASP 16 H ASP 16 7.695 3.392 2.909 90 HA ASP 16 HA ASP 16 5.993 2.789 5.224 91 HB2 ASP 16 1HB ASP 16 8.216 1.774 5.610 92 HB3 ASP 16 2HB ASP 16 8.961 3.353 5.383 93 H MET 17 H MET 17 4.867 4.535 5.736 94 HA MET 17 HA MET 17 6.147 7.129 5.857 95 HB2 MET 17 1HB MET 17 3.594 7.159 4.349 96 HB3 MET 17 2HB MET 17 4.998 8.208 4.205 97 HG2 MET 17 1HG MET 17 6.199 6.383 3.058 98 HG3 MET 17 2HG MET 17 4.731 5.410 3.133 99 HE1 MET 17 1HE MET 17 2.238 7.288 0.964 100 HE2 MET 17 2HE MET 17 2.478 6.558 2.551 101 HE3 MET 17 3HE MET 17 2.617 8.306 2.353 102 H GLU 18 H GLU 18 4.676 8.788 6.800 103 HA GLU 18 HA GLU 18 2.710 7.522 8.595 104 HB2 GLU 18 1HB GLU 18 4.886 9.462 9.100 105 HB3 GLU 18 2HB GLU 18 3.366 9.784 9.923 106 HG2 GLU 18 1HG GLU 18 3.522 7.938 11.243 107 HG3 GLU 18 2HG GLU 18 4.451 7.028 10.053 108 H LYS 19 H LYS 19 1.213 9.321 9.562 109 HA LYS 19 HA LYS 19 -0.246 10.409 7.361 110 HB2 LYS 19 1HB LYS 19 -1.046 9.541 9.728 111 HB3 LYS 19 2HB LYS 19 -0.809 11.224 10.180 112 HG2 LYS 19 1HG LYS 19 -3.041 11.155 9.593 113 HG3 LYS 19 2HG LYS 19 -2.270 11.749 8.120 114 HD2 LYS 19 1HD LYS 19 -3.470 10.118 7.131 115 HD3 LYS 19 2HD LYS 19 -2.165 9.075 7.703 116 HE2 LYS 19 1HE LYS 19 -4.508 8.284 8.203 117 HE3 LYS 19 2HE LYS 19 -3.418 8.381 9.585 118 HZ1 LYS 19 1HZ LYS 19 -5.067 10.720 8.990 119 HZ2 LYS 19 2HZ LYS 19 -4.558 10.109 10.482 120 HZ3 LYS 19 3HZ LYS 19 -5.839 9.372 9.660 121 H GLY 20 H GLY 20 -0.923 12.685 7.216 122 HA2 GLY 20 1HA GLY 20 1.146 14.538 8.216 123 HA3 GLY 20 2HA GLY 20 0.631 14.573 6.536 124 H ALA 21 H ALA 21 0.064 16.796 6.868 125 HA ALA 21 HA ALA 21 -1.692 17.792 8.759 126 HB1 ALA 21 1HB ALA 21 -0.727 18.635 6.132 127 HB2 ALA 21 2HB ALA 21 -2.317 19.275 6.552 128 HB3 ALA 21 3HB ALA 21 -0.941 19.564 7.617 129 H LYS 22 H LYS 22 -2.527 16.727 5.455 130 HA LYS 22 HA LYS 22 -5.288 16.304 6.393 131 HB2 LYS 22 1HB LYS 22 -4.261 16.909 3.615 132 HB3 LYS 22 2HB LYS 22 -5.936 16.532 3.997 133 HG2 LYS 22 1HG LYS 22 -4.484 18.826 5.276 134 HG3 LYS 22 2HG LYS 22 -5.326 18.981 3.733 135 HD2 LYS 22 1HD LYS 22 -7.415 18.343 4.757 136 HD3 LYS 22 2HD LYS 22 -6.604 18.012 6.289 137 HE2 LYS 22 1HE LYS 22 -6.293 20.248 6.758 138 HE3 LYS 22 2HE LYS 22 -6.367 20.723 5.062 139 HZ1 LYS 22 1HZ LYS 22 -8.786 20.046 5.179 140 HZ2 LYS 22 2HZ LYS 22 -8.361 21.457 6.009 141 HZ3 LYS 22 3HZ LYS 22 -8.608 20.017 6.861 142 H GLY 23 H GLY 23 -3.050 14.423 6.632 143 HA2 GLY 23 1HA GLY 23 -3.554 12.026 6.625 144 HA3 GLY 23 2HA GLY 23 -4.185 12.239 4.998 145 H PHE 24 H PHE 24 -2.588 10.315 4.886 146 HA PHE 24 HA PHE 24 0.164 10.636 4.966 147 HB2 PHE 24 1HB PHE 24 -1.557 8.891 3.202 148 HB3 PHE 24 2HB PHE 24 0.200 8.783 3.235 149 HD1 PHE 24 1HD PHE 24 1.356 8.016 5.264 150 HD2 PHE 24 2HD PHE 24 -2.889 7.999 4.958 151 HE1 PHE 24 1HE PHE 24 1.227 6.486 7.187 152 HE2 PHE 24 2HE PHE 24 -3.025 6.470 6.881 153 HZ PHE 24 HZ PHE 24 -0.965 5.712 7.998 154 H GLY 25 H GLY 25 -2.121 11.879 2.706 155 HA2 GLY 25 1HA GLY 25 -1.789 13.480 1.065 156 HA3 GLY 25 2HA GLY 25 -0.063 13.400 1.384 157 H PHE 26 H PHE 26 -2.231 10.755 0.478 158 HA PHE 26 HA PHE 26 -1.187 10.694 -2.223 159 HB2 PHE 26 1HB PHE 26 0.037 8.750 -2.115 160 HB3 PHE 26 2HB PHE 26 0.367 9.401 -0.513 161 HD1 PHE 26 2HD PHE 26 -2.152 7.241 -2.222 162 HD2 PHE 26 1HD PHE 26 0.165 7.979 1.272 163 HE1 PHE 26 2HE PHE 26 -3.028 5.177 -1.209 164 HE2 PHE 26 1HE PHE 26 -0.706 5.916 2.290 165 HZ PHE 26 HZ PHE 26 -2.306 4.512 1.050 166 H SER 27 H SER 27 -2.494 9.593 -3.643 167 HA SER 27 HA SER 27 -4.938 8.417 -2.490 168 HB2 SER 27 1HB SER 27 -5.432 10.529 -3.610 169 HB3 SER 27 2HB SER 27 -4.624 9.966 -5.073 170 HG SER 27 HG SER 27 -7.151 9.623 -4.379 171 H ILE 28 H ILE 28 -6.066 6.917 -4.080 172 HA ILE 28 HA ILE 28 -4.104 5.368 -5.634 173 HB ILE 28 HB ILE 28 -5.747 3.395 -4.824 174 HG12 ILE 28 1HG1 ILE 28 -5.433 5.040 -2.323 175 HG13 ILE 28 2HG1 ILE 28 -6.877 5.165 -3.321 176 HG21 ILE 28 1HG2 ILE 28 -3.245 3.544 -4.745 177 HG22 ILE 28 2HG2 ILE 28 -3.408 4.316 -3.168 178 HG23 ILE 28 3HG2 ILE 28 -3.981 2.665 -3.404 179 HD11 ILE 28 1HD1 ILE 28 -5.853 2.732 -1.887 180 HD12 ILE 28 2HD1 ILE 28 -7.329 3.641 -1.558 181 HD13 ILE 28 3HD1 ILE 28 -7.181 2.706 -3.047 182 H ARG 29 H ARG 29 -5.233 3.751 -7.098 183 HA ARG 29 HA ARG 29 -7.887 4.587 -7.964 184 HB2 ARG 29 1HB ARG 29 -7.319 5.281 -10.081 185 HB3 ARG 29 2HB ARG 29 -5.923 5.853 -9.178 186 HG2 ARG 29 1HG ARG 29 -4.852 4.850 -10.906 187 HG3 ARG 29 2HG ARG 29 -4.988 3.463 -9.823 188 HD2 ARG 29 1HD ARG 29 -6.593 2.452 -11.096 189 HD3 ARG 29 2HD ARG 29 -7.225 3.981 -11.705 190 HE ARG 29 HE ARG 29 -5.177 2.367 -12.888 191 HH11 ARG 29 2HH1 ARG 29 -6.392 5.613 -12.557 192 HH12 ARG 29 1HH1 ARG 29 -5.701 6.163 -14.047 193 HH21 ARG 29 2HH2 ARG 29 -4.262 3.080 -14.852 194 HH22 ARG 29 1HH2 ARG 29 -4.490 4.721 -15.352 195 H GLY 30 H GLY 30 -8.746 3.123 -9.691 196 HA2 GLY 30 1HA GLY 30 -9.070 1.033 -10.627 197 HA3 GLY 30 2HA GLY 30 -7.458 0.585 -10.089 198 H GLY 31 H GLY 31 -8.827 -1.459 -9.752 199 HA2 GLY 31 1HA GLY 31 -8.894 -2.562 -7.455 200 HA3 GLY 31 2HA GLY 31 -10.131 -1.364 -7.108 201 H ARG 32 H ARG 32 -10.668 -4.039 -6.813 202 HA ARG 32 HA ARG 32 -11.663 -5.495 -8.900 203 HB2 ARG 32 1HB ARG 32 -12.545 -5.201 -6.053 204 HB3 ARG 32 2HB ARG 32 -13.485 -6.198 -7.155 205 HG2 ARG 32 1HG ARG 32 -10.537 -6.572 -6.699 206 HG3 ARG 32 2HG ARG 32 -11.783 -7.413 -5.775 207 HD2 ARG 32 1HD ARG 32 -11.797 -7.489 -8.767 208 HD3 ARG 32 2HD ARG 32 -10.741 -8.564 -7.852 209 HE ARG 32 HE ARG 32 -13.428 -8.668 -6.912 210 HH11 ARG 32 2HH1 ARG 32 -11.302 -9.794 -9.428 211 HH12 ARG 32 1HH1 ARG 32 -12.225 -11.226 -9.747 212 HH21 ARG 32 2HH2 ARG 32 -14.651 -10.549 -7.322 213 HH22 ARG 32 1HH2 ARG 32 -14.130 -11.653 -8.549 214 H GLU 33 H GLU 33 -13.062 -2.654 -7.413 215 HA GLU 33 HA GLU 33 -15.665 -2.820 -8.408 216 HB2 GLU 33 1HB GLU 33 -15.136 -1.177 -6.748 217 HB3 GLU 33 2HB GLU 33 -13.932 -0.429 -7.787 218 HG2 GLU 33 1HG GLU 33 -15.819 0.983 -7.809 219 HG3 GLU 33 2HG GLU 33 -15.796 0.150 -9.363 220 H TYR 34 H TYR 34 -12.698 -1.673 -9.908 221 HA TYR 34 HA TYR 34 -14.186 -1.168 -12.397 222 HB2 TYR 34 1HB TYR 34 -11.357 -0.276 -11.943 223 HB3 TYR 34 2HB TYR 34 -12.575 0.403 -13.018 224 HD1 TYR 34 1HD TYR 34 -14.597 1.558 -11.909 225 HD2 TYR 34 2HD TYR 34 -10.978 0.680 -9.850 226 HE1 TYR 34 1HE TYR 34 -15.161 3.245 -10.211 227 HE2 TYR 34 2HE TYR 34 -11.533 2.364 -8.146 228 HH TYR 34 HH TYR 34 -14.396 3.516 -7.561 229 H LYS 35 H LYS 35 -12.688 -3.622 -11.019 230 HA LYS 35 HA LYS 35 -11.639 -5.510 -11.734 231 HB2 LYS 35 1HB LYS 35 -12.528 -4.518 -14.449 232 HB3 LYS 35 2HB LYS 35 -11.945 -6.141 -14.103 233 HG2 LYS 35 1HG LYS 35 -14.388 -4.905 -12.851 234 HG3 LYS 35 2HG LYS 35 -14.407 -5.975 -14.255 235 HD2 LYS 35 1HD LYS 35 -13.271 -7.705 -12.858 236 HD3 LYS 35 2HD LYS 35 -13.474 -6.640 -11.465 237 HE2 LYS 35 1HE LYS 35 -15.734 -7.658 -13.181 238 HE3 LYS 35 2HE LYS 35 -15.226 -8.397 -11.663 239 HZ1 LYS 35 1HZ LYS 35 -15.904 -5.537 -11.721 240 HZ2 LYS 35 2HZ LYS 35 -16.005 -6.636 -10.440 241 HZ3 LYS 35 3HZ LYS 35 -17.149 -6.683 -11.685 242 H MET 36 H MET 36 -9.846 -3.687 -11.110 243 HA MET 36 HA MET 36 -7.673 -4.249 -12.917 244 HB2 MET 36 1HB MET 36 -7.018 -1.863 -13.173 245 HB3 MET 36 2HB MET 36 -8.516 -2.268 -14.000 246 HG2 MET 36 1HG MET 36 -9.636 -1.415 -11.815 247 HG3 MET 36 2HG MET 36 -8.089 -0.611 -11.559 248 HE1 MET 36 1HE MET 36 -7.210 1.158 -12.564 249 HE2 MET 36 2HE MET 36 -7.893 2.217 -13.798 250 HE3 MET 36 3HE MET 36 -8.563 2.217 -12.166 251 H ASP 37 H ASP 37 -5.582 -3.575 -12.030 252 HA ASP 37 HA ASP 37 -5.382 -4.148 -9.277 253 HB2 ASP 37 1HB ASP 37 -3.209 -2.758 -10.820 254 HB3 ASP 37 2HB ASP 37 -3.059 -3.960 -9.542 255 H LEU 38 H LEU 38 -4.076 -2.672 -7.768 256 HA LEU 38 HA LEU 38 -5.412 -0.068 -7.741 257 HB2 LEU 38 1HB LEU 38 -3.992 -1.643 -5.606 258 HB3 LEU 38 2HB LEU 38 -4.578 0.002 -5.369 259 HG LEU 38 HG LEU 38 -6.518 -2.066 -6.274 260 HD11 LEU 38 1HD1 LEU 38 -6.173 -1.814 -3.358 261 HD12 LEU 38 2HD1 LEU 38 -4.947 -2.756 -4.206 262 HD13 LEU 38 3HD1 LEU 38 -6.647 -3.205 -4.334 263 HD21 LEU 38 1HD2 LEU 38 -8.052 -0.740 -4.974 264 HD22 LEU 38 2HD2 LEU 38 -7.121 0.322 -6.030 265 HD23 LEU 38 3HD2 LEU 38 -6.725 0.216 -4.314 266 H TYR 39 H TYR 39 -4.337 1.650 -8.426 267 HA TYR 39 HA TYR 39 -1.402 1.674 -8.157 268 HB2 TYR 39 1HB TYR 39 -2.921 3.231 -10.241 269 HB3 TYR 39 2HB TYR 39 -1.205 2.840 -10.203 270 HD1 TYR 39 1HD TYR 39 -4.554 1.217 -10.448 271 HD2 TYR 39 2HD TYR 39 -0.416 1.025 -11.420 272 HE1 TYR 39 1HE TYR 39 -4.980 -0.760 -11.848 273 HE2 TYR 39 2HE TYR 39 -0.831 -0.952 -12.823 274 HH TYR 39 HH TYR 39 -2.401 -2.661 -13.178 275 H VAL 40 H VAL 40 -0.498 3.953 -8.158 276 HA VAL 40 HA VAL 40 -1.890 5.464 -6.114 277 HB VAL 40 HB VAL 40 0.810 5.879 -7.402 278 HG11 VAL 40 1HG1 VAL 40 0.955 7.332 -5.163 279 HG12 VAL 40 2HG1 VAL 40 0.450 8.009 -6.712 280 HG13 VAL 40 3HG1 VAL 40 -0.760 7.535 -5.520 281 HG21 VAL 40 1HG2 VAL 40 -0.163 4.332 -5.116 282 HG22 VAL 40 2HG2 VAL 40 1.328 4.170 -6.044 283 HG23 VAL 40 3HG2 VAL 40 1.219 5.366 -4.753 284 H LEU 41 H LEU 41 -3.548 6.636 -6.915 285 HA LEU 41 HA LEU 41 -3.848 7.756 -9.401 286 HB2 LEU 41 1HB LEU 41 -5.534 7.630 -7.528 287 HB3 LEU 41 2HB LEU 41 -4.782 9.078 -6.864 288 HG LEU 41 HG LEU 41 -6.736 9.762 -8.026 289 HD11 LEU 41 1HD1 LEU 41 -4.603 11.069 -8.359 290 HD12 LEU 41 2HD1 LEU 41 -5.866 11.330 -9.561 291 HD13 LEU 41 3HD1 LEU 41 -4.485 10.302 -9.943 292 HD21 LEU 41 1HD2 LEU 41 -7.304 9.145 -10.240 293 HD22 LEU 41 2HD2 LEU 41 -6.876 7.653 -9.402 294 HD23 LEU 41 3HD2 LEU 41 -5.728 8.402 -10.514 295 H ARG 42 H ARG 42 -2.945 9.688 -6.540 296 HA ARG 42 HA ARG 42 -0.936 11.090 -8.114 297 HB2 ARG 42 1HB ARG 42 -1.818 13.291 -7.628 298 HB3 ARG 42 2HB ARG 42 -3.039 12.347 -8.471 299 HG2 ARG 42 1HG ARG 42 -4.328 13.266 -6.844 300 HG3 ARG 42 2HG ARG 42 -3.812 11.800 -6.008 301 HD2 ARG 42 1HD ARG 42 -3.602 13.775 -4.578 302 HD3 ARG 42 2HD ARG 42 -2.034 13.036 -4.901 303 HE ARG 42 HE ARG 42 -1.390 14.985 -5.888 304 HH11 ARG 42 2HH1 ARG 42 -4.869 14.856 -5.862 305 HH12 ARG 42 1HH1 ARG 42 -5.063 16.452 -6.506 306 HH21 ARG 42 2HH2 ARG 42 -1.633 17.088 -6.737 307 HH22 ARG 42 1HH2 ARG 42 -3.222 17.721 -7.004 308 H LEU 43 H LEU 43 -0.026 12.956 -6.560 309 HA LEU 43 HA LEU 43 0.249 11.832 -3.857 310 HB2 LEU 43 1HB LEU 43 2.346 12.406 -5.867 311 HB3 LEU 43 2HB LEU 43 2.701 12.837 -4.196 312 HG LEU 43 HG LEU 43 1.919 10.075 -5.124 313 HD11 LEU 43 1HD1 LEU 43 4.054 10.599 -6.066 314 HD12 LEU 43 2HD1 LEU 43 4.310 9.542 -4.677 315 HD13 LEU 43 3HD1 LEU 43 4.620 11.272 -4.537 316 HD21 LEU 43 1HD2 LEU 43 2.408 11.329 -2.501 317 HD22 LEU 43 2HD2 LEU 43 3.176 9.762 -2.763 318 HD23 LEU 43 3HD2 LEU 43 1.427 9.926 -2.928 319 H ALA 44 H ALA 44 0.739 13.329 -2.208 320 HA ALA 44 HA ALA 44 -0.216 16.012 -2.774 321 HB1 ALA 44 1HB ALA 44 -0.739 16.175 -0.569 322 HB2 ALA 44 2HB ALA 44 -0.730 14.416 -0.711 323 HB3 ALA 44 3HB ALA 44 0.673 15.255 -0.050 324 H GLU 45 H GLU 45 1.117 17.612 -3.274 325 HA GLU 45 HA GLU 45 3.904 17.433 -3.265 326 HB2 GLU 45 1HB GLU 45 3.775 19.986 -3.473 327 HB3 GLU 45 2HB GLU 45 2.988 19.027 -4.718 328 HG2 GLU 45 1HG GLU 45 0.835 19.424 -3.757 329 HG3 GLU 45 2HG GLU 45 1.556 20.209 -2.352 330 H ASP 46 H ASP 46 1.667 18.588 -0.833 331 HA ASP 46 HA ASP 46 3.943 19.217 0.927 332 HB2 ASP 46 1HB ASP 46 1.233 20.403 0.618 333 HB3 ASP 46 2HB ASP 46 1.896 20.329 2.248 334 H GLY 47 H GLY 47 3.068 16.545 0.489 335 HA2 GLY 47 1HA GLY 47 1.904 15.923 3.135 336 HA3 GLY 47 2HA GLY 47 1.589 14.963 1.697 337 HA PRO 48 HA PRO 48 5.346 13.424 4.181 338 HB2 PRO 48 1HB PRO 48 4.198 11.238 5.309 339 HB3 PRO 48 2HB PRO 48 4.226 12.821 6.095 340 HG2 PRO 48 1HG PRO 48 2.022 11.511 4.549 341 HG3 PRO 48 2HG PRO 48 1.935 12.421 6.068 342 HD2 PRO 48 1HD PRO 48 1.279 13.511 3.678 343 HD3 PRO 48 2HD PRO 48 1.994 14.461 4.996 344 H ALA 49 H ALA 49 2.988 12.192 1.997 345 HA ALA 49 HA ALA 49 4.296 9.722 1.389 346 HB1 ALA 49 1HB ALA 49 2.677 9.441 -0.303 347 HB2 ALA 49 2HB ALA 49 1.847 10.255 1.025 348 HB3 ALA 49 3HB ALA 49 2.357 11.174 -0.392 349 H ILE 50 H ILE 50 3.866 12.693 -0.547 350 HA ILE 50 HA ILE 50 5.632 12.042 -2.588 351 HB ILE 50 HB ILE 50 4.001 14.050 -2.369 352 HG12 ILE 50 1HG1 ILE 50 6.656 14.667 -3.652 353 HG13 ILE 50 2HG1 ILE 50 5.593 13.416 -4.287 354 HG21 ILE 50 1HG2 ILE 50 6.542 15.308 -1.343 355 HG22 ILE 50 2HG2 ILE 50 5.054 16.157 -1.760 356 HG23 ILE 50 3HG2 ILE 50 5.077 15.034 -0.400 357 HD11 ILE 50 1HD1 ILE 50 4.686 15.032 -5.508 358 HD12 ILE 50 2HD1 ILE 50 3.922 15.580 -4.015 359 HD13 ILE 50 3HD1 ILE 50 5.443 16.300 -4.543 360 H ARG 51 H ARG 51 6.314 12.773 0.655 361 HA ARG 51 HA ARG 51 9.044 13.645 0.098 362 HB2 ARG 51 1HB ARG 51 7.591 13.313 2.729 363 HB3 ARG 51 2HB ARG 51 9.204 13.984 2.531 364 HG2 ARG 51 1HG ARG 51 8.381 15.900 1.432 365 HG3 ARG 51 2HG ARG 51 6.787 15.177 1.209 366 HD2 ARG 51 1HD ARG 51 6.448 16.621 2.990 367 HD3 ARG 51 2HD ARG 51 6.733 15.076 3.791 368 HE ARG 51 HE ARG 51 9.200 16.193 3.672 369 HH11 ARG 51 2HH1 ARG 51 6.112 17.289 4.849 370 HH12 ARG 51 1HH1 ARG 51 6.794 18.304 6.076 371 HH21 ARG 51 2HH2 ARG 51 10.110 17.525 5.284 372 HH22 ARG 51 1HH2 ARG 51 9.068 18.438 6.322 373 H ASN 52 H ASN 52 7.286 10.815 0.872 374 HA ASN 52 HA ASN 52 9.277 9.358 2.247 375 HB2 ASN 52 1HB ASN 52 7.312 8.241 2.483 376 HB3 ASN 52 2HB ASN 52 6.714 8.752 0.907 377 HD21 ASN 52 1HD2 ASN 52 6.285 7.059 -0.293 378 HD22 ASN 52 2HD2 ASN 52 7.244 5.628 -0.422 379 H GLY 53 H GLY 53 8.260 9.179 -1.173 380 HA2 GLY 53 1HA GLY 53 9.786 9.117 -2.995 381 HA3 GLY 53 2HA GLY 53 11.040 8.573 -1.891 382 H ARG 54 H ARG 54 10.077 6.406 -0.696 383 HA ARG 54 HA ARG 54 10.502 4.311 -2.339 384 HB2 ARG 54 1HB ARG 54 8.697 4.534 0.056 385 HB3 ARG 54 2HB ARG 54 8.906 3.004 -0.785 386 HG2 ARG 54 1HG ARG 54 11.229 4.590 0.262 387 HG3 ARG 54 2HG ARG 54 10.363 3.408 1.245 388 HD2 ARG 54 1HD ARG 54 10.793 1.880 -0.873 389 HD3 ARG 54 2HD ARG 54 12.133 3.001 -1.108 390 HE ARG 54 HE ARG 54 12.103 2.084 1.560 391 HH11 ARG 54 2HH1 ARG 54 12.822 1.018 -1.675 392 HH12 ARG 54 1HH1 ARG 54 13.989 -0.158 -1.168 393 HH21 ARG 54 2HH2 ARG 54 13.636 0.539 2.240 394 HH22 ARG 54 1HH2 ARG 54 14.450 -0.431 1.059 395 H MET 55 H MET 55 7.553 6.162 -2.097 396 HA MET 55 HA MET 55 6.410 4.526 -4.265 397 HB2 MET 55 1HB MET 55 4.281 4.630 -3.345 398 HB3 MET 55 2HB MET 55 5.293 4.434 -1.921 399 HG2 MET 55 1HG MET 55 3.897 6.104 -1.236 400 HG3 MET 55 2HG MET 55 5.245 7.039 -1.880 401 HE1 MET 55 1HE MET 55 1.604 7.599 -1.656 402 HE2 MET 55 2HE MET 55 0.944 7.018 -3.184 403 HE3 MET 55 3HE MET 55 1.726 5.890 -2.076 404 H ARG 56 H ARG 56 5.555 5.589 -5.998 405 HA ARG 56 HA ARG 56 5.503 8.526 -5.909 406 HB2 ARG 56 1HB ARG 56 7.031 6.753 -7.745 407 HB3 ARG 56 2HB ARG 56 6.289 8.187 -8.439 408 HG2 ARG 56 1HG ARG 56 8.490 8.791 -7.864 409 HG3 ARG 56 2HG ARG 56 7.448 9.516 -6.639 410 HD2 ARG 56 1HD ARG 56 8.185 8.120 -4.989 411 HD3 ARG 56 2HD ARG 56 8.535 6.804 -6.109 412 HE ARG 56 HE ARG 56 10.350 8.785 -5.199 413 HH11 ARG 56 2HH1 ARG 56 9.507 6.884 -7.991 414 HH12 ARG 56 1HH1 ARG 56 11.106 6.914 -8.657 415 HH21 ARG 56 2HH2 ARG 56 12.460 8.832 -6.065 416 HH22 ARG 56 1HH2 ARG 56 12.785 8.022 -7.560 417 H VAL 57 H VAL 57 4.591 9.200 -8.291 418 HA VAL 57 HA VAL 57 1.929 8.019 -8.341 419 HB VAL 57 HB VAL 57 3.018 10.440 -9.786 420 HG11 VAL 57 1HG1 VAL 57 0.109 9.919 -9.423 421 HG12 VAL 57 2HG1 VAL 57 0.946 10.828 -10.683 422 HG13 VAL 57 3HG1 VAL 57 0.969 9.064 -10.704 423 HG21 VAL 57 1HG2 VAL 57 2.899 11.300 -7.709 424 HG22 VAL 57 2HG2 VAL 57 1.168 11.368 -8.038 425 HG23 VAL 57 3HG2 VAL 57 1.840 10.017 -7.124 426 H GLY 58 H GLY 58 1.486 6.410 -9.688 427 HA2 GLY 58 1HA GLY 58 1.196 5.812 -12.051 428 HA3 GLY 58 2HA GLY 58 2.836 6.385 -12.316 429 H ASP 59 H ASP 59 2.263 4.625 -9.424 430 HA ASP 59 HA ASP 59 3.724 2.343 -10.561 431 HB2 ASP 59 1HB ASP 59 3.464 3.379 -7.740 432 HB3 ASP 59 2HB ASP 59 4.142 1.795 -8.106 433 H GLN 60 H GLN 60 3.214 0.243 -9.210 434 HA GLN 60 HA GLN 60 0.282 -0.030 -9.089 435 HB2 GLN 60 1HB GLN 60 1.514 -1.145 -11.047 436 HB3 GLN 60 2HB GLN 60 2.152 -2.263 -9.849 437 HG2 GLN 60 1HG GLN 60 -0.783 -1.832 -9.934 438 HG3 GLN 60 2HG GLN 60 -0.039 -2.782 -11.219 439 HE21 GLN 60 1HE2 GLN 60 -1.091 -2.730 -7.984 440 HE22 GLN 60 2HE2 GLN 60 -0.610 -4.333 -7.554 441 H ILE 61 H ILE 61 -0.421 -0.463 -7.116 442 HA ILE 61 HA ILE 61 1.398 -1.471 -5.095 443 HB ILE 61 HB ILE 61 -1.521 -0.755 -4.810 444 HG12 ILE 61 1HG1 ILE 61 0.716 1.001 -3.881 445 HG13 ILE 61 2HG1 ILE 61 0.252 1.040 -5.579 446 HG21 ILE 61 1HG2 ILE 61 0.631 -0.996 -2.714 447 HG22 ILE 61 2HG2 ILE 61 -1.077 -0.653 -2.446 448 HG23 ILE 61 3HG2 ILE 61 -0.580 -2.231 -3.058 449 HD11 ILE 61 1HD1 ILE 61 -1.736 1.421 -3.368 450 HD12 ILE 61 2HD1 ILE 61 -0.812 2.755 -4.059 451 HD13 ILE 61 3HD1 ILE 61 -1.903 1.817 -5.078 452 H ILE 62 H ILE 62 1.634 -3.557 -4.679 453 HA ILE 62 HA ILE 62 -0.454 -5.428 -5.541 454 HB ILE 62 HB ILE 62 1.510 -7.086 -4.841 455 HG12 ILE 62 1HG1 ILE 62 2.846 -4.959 -4.157 456 HG13 ILE 62 2HG1 ILE 62 3.670 -6.233 -5.050 457 HG21 ILE 62 1HG2 ILE 62 2.381 -6.466 -7.329 458 HG22 ILE 62 2HG2 ILE 62 0.939 -7.420 -6.989 459 HG23 ILE 62 3HG2 ILE 62 0.795 -5.696 -7.328 460 HD11 ILE 62 1HD1 ILE 62 3.950 -4.950 -6.880 461 HD12 ILE 62 2HD1 ILE 62 2.420 -4.100 -6.658 462 HD13 ILE 62 3HD1 ILE 62 3.827 -3.651 -5.694 463 H GLU 63 H GLU 63 0.918 -4.022 -2.749 464 HA GLU 63 HA GLU 63 -0.735 -5.750 -1.067 465 HB2 GLU 63 1HB GLU 63 1.817 -6.399 -1.171 466 HB3 GLU 63 2HB GLU 63 1.993 -5.038 -0.072 467 HG2 GLU 63 1HG GLU 63 0.761 -6.063 1.602 468 HG3 GLU 63 2HG GLU 63 -0.007 -7.188 0.483 469 H ILE 64 H ILE 64 -1.364 -4.804 0.921 470 HA ILE 64 HA ILE 64 -0.661 -1.998 1.343 471 HB ILE 64 HB ILE 64 -3.476 -3.002 0.945 472 HG12 ILE 64 1HG1 ILE 64 -1.965 -0.705 -0.319 473 HG13 ILE 64 2HG1 ILE 64 -2.197 -2.284 -1.062 474 HG21 ILE 64 1HG2 ILE 64 -3.613 -0.285 1.478 475 HG22 ILE 64 2HG2 ILE 64 -4.123 -1.594 2.543 476 HG23 ILE 64 3HG2 ILE 64 -2.503 -0.914 2.696 477 HD11 ILE 64 1HD1 ILE 64 -4.376 -1.882 -1.554 478 HD12 ILE 64 2HD1 ILE 64 -4.607 -0.805 -0.177 479 HD13 ILE 64 3HD1 ILE 64 -3.757 -0.232 -1.612 480 H ASN 65 H ASN 65 -0.041 -1.836 3.385 481 HA ASN 65 HA ASN 65 0.153 -2.172 5.627 482 HB2 ASN 65 1HB ASN 65 -2.774 -2.364 5.106 483 HB3 ASN 65 2HB ASN 65 -2.195 -2.859 6.694 484 HD21 ASN 65 1HD2 ASN 65 -3.898 -0.738 6.405 485 HD22 ASN 65 2HD2 ASN 65 -3.069 0.729 6.787 486 H GLY 66 H GLY 66 0.544 -4.449 3.776 487 HA2 GLY 66 1HA GLY 66 1.279 -6.618 4.106 488 HA3 GLY 66 2HA GLY 66 0.773 -6.494 5.785 489 H GLU 67 H GLU 67 -1.656 -5.624 3.584 490 HA GLU 67 HA GLU 67 -2.937 -8.248 3.959 491 HB2 GLU 67 1HB GLU 67 -4.336 -5.641 3.371 492 HB3 GLU 67 2HB GLU 67 -5.060 -7.151 3.906 493 HG2 GLU 67 1HG GLU 67 -3.542 -6.823 5.992 494 HG3 GLU 67 2HG GLU 67 -3.503 -5.142 5.463 495 H SER 68 H SER 68 -2.651 -9.428 2.174 496 HA SER 68 HA SER 68 -1.965 -8.821 -0.327 497 HB2 SER 68 1HB SER 68 -4.164 -10.774 0.395 498 HB3 SER 68 2HB SER 68 -3.290 -10.754 -1.136 499 HG SER 68 HG SER 68 -1.845 -10.892 1.264 500 H THR 69 H THR 69 -2.618 -7.436 -1.819 501 HA THR 69 HA THR 69 -5.232 -6.212 -1.650 502 HB THR 69 HB THR 69 -4.487 -4.721 -3.399 503 HG1 THR 69 1HG THR 69 -2.182 -5.153 -4.125 504 HG21 THR 69 1HG2 THR 69 -2.827 -5.241 -1.033 505 HG22 THR 69 2HG2 THR 69 -3.555 -3.738 -1.599 506 HG23 THR 69 3HG2 THR 69 -2.033 -4.296 -2.292 507 H ARG 70 H ARG 70 -5.933 -8.651 -2.109 508 HA ARG 70 HA ARG 70 -6.429 -8.847 -5.008 509 HB2 ARG 70 1HB ARG 70 -6.722 -11.326 -4.558 510 HB3 ARG 70 2HB ARG 70 -5.081 -10.707 -4.435 511 HG2 ARG 70 1HG ARG 70 -5.184 -10.727 -2.044 512 HG3 ARG 70 2HG ARG 70 -6.899 -11.138 -2.077 513 HD2 ARG 70 1HD ARG 70 -6.322 -13.262 -3.212 514 HD3 ARG 70 2HD ARG 70 -4.615 -12.851 -3.047 515 HE ARG 70 HE ARG 70 -5.866 -12.755 -0.523 516 HH11 ARG 70 2HH1 ARG 70 -4.817 -15.026 -2.945 517 HH12 ARG 70 1HH1 ARG 70 -4.555 -16.311 -1.813 518 HH21 ARG 70 2HH2 ARG 70 -5.525 -14.440 0.977 519 HH22 ARG 70 1HH2 ARG 70 -4.959 -15.977 0.417 520 H ASP 71 H ASP 71 -8.494 -9.505 -5.685 521 HA ASP 71 HA ASP 71 -10.771 -9.325 -5.647 522 HB2 ASP 71 1HB ASP 71 -10.216 -10.951 -3.166 523 HB3 ASP 71 2HB ASP 71 -11.846 -10.660 -3.767 524 H MET 72 H MET 72 -9.241 -7.162 -4.348 525 HA MET 72 HA MET 72 -11.191 -6.259 -2.342 526 HB2 MET 72 1HB MET 72 -8.521 -4.983 -2.904 527 HB3 MET 72 2HB MET 72 -9.530 -4.808 -1.474 528 HG2 MET 72 1HG MET 72 -9.125 -7.368 -1.219 529 HG3 MET 72 2HG MET 72 -7.746 -7.056 -2.270 530 HE1 MET 72 1HE MET 72 -6.944 -4.424 -1.795 531 HE2 MET 72 2HE MET 72 -7.596 -3.676 -0.336 532 HE3 MET 72 3HE MET 72 -5.927 -4.249 -0.364 533 H THR 73 H THR 73 -11.989 -4.098 -2.438 534 HA THR 73 HA THR 73 -12.114 -3.063 -5.188 535 HB THR 73 HB THR 73 -14.171 -1.854 -4.396 536 HG1 THR 73 1HG THR 73 -14.740 -2.014 -2.362 537 HG21 THR 73 1HG2 THR 73 -14.766 -3.698 -5.622 538 HG22 THR 73 2HG2 THR 73 -15.467 -4.138 -4.064 539 HG23 THR 73 3HG2 THR 73 -13.915 -4.816 -4.556 540 H HIS 74 H HIS 74 -11.808 -0.883 -5.616 541 HA HIS 74 HA HIS 74 -9.824 0.513 -4.477 542 HB2 HIS 74 1HB HIS 74 -11.199 1.156 -6.515 543 HB3 HIS 74 2HB HIS 74 -12.329 1.921 -5.402 544 HD1 HIS 74 1HD HIS 74 -11.614 4.110 -6.829 545 HD2 HIS 74 2HD HIS 74 -8.732 2.510 -4.300 546 HE1 HIS 74 1HE HIS 74 -9.901 5.925 -6.529 547 HE2 HIS 74 2HE HIS 74 -8.124 4.905 -5.064 548 H ALA 75 H ALA 75 -13.110 0.332 -3.268 549 HA ALA 75 HA ALA 75 -12.955 2.398 -1.359 550 HB1 ALA 75 1HB ALA 75 -14.976 0.949 -2.244 551 HB2 ALA 75 2HB ALA 75 -14.618 -0.002 -0.802 552 HB3 ALA 75 3HB ALA 75 -15.014 1.710 -0.653 553 H ARG 76 H ARG 76 -12.354 -1.095 -1.089 554 HA ARG 76 HA ARG 76 -11.836 -1.236 1.631 555 HB2 ARG 76 1HB ARG 76 -12.020 -3.273 0.447 556 HB3 ARG 76 2HB ARG 76 -10.768 -2.813 -0.700 557 HG2 ARG 76 1HG ARG 76 -9.994 -4.515 0.873 558 HG3 ARG 76 2HG ARG 76 -9.076 -3.015 1.022 559 HD2 ARG 76 1HD ARG 76 -9.941 -2.529 3.081 560 HD3 ARG 76 2HD ARG 76 -11.457 -3.369 2.761 561 HE ARG 76 HE ARG 76 -9.149 -5.087 2.986 562 HH11 ARG 76 2HH1 ARG 76 -11.773 -3.526 4.658 563 HH12 ARG 76 1HH1 ARG 76 -11.766 -4.644 5.983 564 HH21 ARG 76 2HH2 ARG 76 -9.130 -6.565 4.723 565 HH22 ARG 76 1HH2 ARG 76 -10.262 -6.371 6.019 566 H ALA 77 H ALA 77 -9.336 -1.105 -0.914 567 HA ALA 77 HA ALA 77 -7.121 -0.716 0.630 568 HB1 ALA 77 1HB ALA 77 -6.314 0.738 -1.373 569 HB2 ALA 77 2HB ALA 77 -6.663 -0.974 -1.616 570 HB3 ALA 77 3HB ALA 77 -7.840 0.244 -2.106 571 H ILE 78 H ILE 78 -9.583 1.639 -0.190 572 HA ILE 78 HA ILE 78 -8.157 3.929 0.711 573 HB ILE 78 HB ILE 78 -11.110 3.461 0.308 574 HG12 ILE 78 1HG1 ILE 78 -9.348 3.529 -1.630 575 HG13 ILE 78 2HG1 ILE 78 -10.859 4.418 -1.789 576 HG21 ILE 78 1HG2 ILE 78 -11.278 5.226 1.722 577 HG22 ILE 78 2HG2 ILE 78 -9.634 5.778 1.405 578 HG23 ILE 78 3HG2 ILE 78 -10.918 6.122 0.246 579 HD11 ILE 78 1HD1 ILE 78 -8.454 5.781 -0.674 580 HD12 ILE 78 2HD1 ILE 78 -8.613 5.547 -2.415 581 HD13 ILE 78 3HD1 ILE 78 -9.837 6.460 -1.533 582 H GLU 79 H GLU 79 -10.236 1.575 2.256 583 HA GLU 79 HA GLU 79 -10.430 3.093 4.711 584 HB2 GLU 79 1HB GLU 79 -12.025 1.603 5.349 585 HB3 GLU 79 2HB GLU 79 -12.085 1.296 3.620 586 HG2 GLU 79 1HG GLU 79 -10.641 -0.627 3.877 587 HG3 GLU 79 2HG GLU 79 -10.476 -0.298 5.601 588 H LEU 80 H LEU 80 -8.389 0.663 3.345 589 HA LEU 80 HA LEU 80 -7.344 -0.411 5.750 590 HB2 LEU 80 1HB LEU 80 -6.259 -0.288 2.947 591 HB3 LEU 80 2HB LEU 80 -5.435 -1.120 4.263 592 HG LEU 80 HG LEU 80 -8.074 -1.825 2.996 593 HD11 LEU 80 1HD1 LEU 80 -5.813 -2.506 1.994 594 HD12 LEU 80 2HD1 LEU 80 -7.020 -3.765 2.253 595 HD13 LEU 80 3HD1 LEU 80 -5.679 -3.584 3.384 596 HD21 LEU 80 1HD2 LEU 80 -8.137 -3.691 4.630 597 HD22 LEU 80 2HD2 LEU 80 -8.360 -2.103 5.366 598 HD23 LEU 80 3HD2 LEU 80 -6.805 -2.928 5.499 599 H ILE 81 H ILE 81 -6.392 2.284 3.683 600 HA ILE 81 HA ILE 81 -3.934 2.857 4.933 601 HB ILE 81 HB ILE 81 -5.765 4.844 3.587 602 HG12 ILE 81 1HG1 ILE 81 -3.525 3.367 2.230 603 HG13 ILE 81 2HG1 ILE 81 -5.141 2.673 2.307 604 HG21 ILE 81 1HG2 ILE 81 -3.495 5.864 2.999 605 HG22 ILE 81 2HG2 ILE 81 -4.062 6.037 4.659 606 HG23 ILE 81 3HG2 ILE 81 -2.842 4.826 4.266 607 HD11 ILE 81 1HD1 ILE 81 -5.996 4.159 0.831 608 HD12 ILE 81 2HD1 ILE 81 -4.908 5.454 1.331 609 HD13 ILE 81 3HD1 ILE 81 -4.321 4.166 0.280 610 H LYS 82 H LYS 82 -7.233 3.676 5.732 611 HA LYS 82 HA LYS 82 -6.348 5.468 7.870 612 HB2 LYS 82 1HB LYS 82 -8.956 5.648 8.131 613 HB3 LYS 82 2HB LYS 82 -8.129 6.500 6.834 614 HG2 LYS 82 1HG LYS 82 -8.726 4.742 5.268 615 HG3 LYS 82 2HG LYS 82 -9.514 3.839 6.565 616 HD2 LYS 82 1HD LYS 82 -11.184 5.023 5.287 617 HD3 LYS 82 2HD LYS 82 -11.062 5.744 6.894 618 HE2 LYS 82 1HE LYS 82 -9.767 7.572 6.037 619 HE3 LYS 82 2HE LYS 82 -9.650 6.809 4.453 620 HZ1 LYS 82 1HZ LYS 82 -11.455 8.657 5.052 621 HZ2 LYS 82 2HZ LYS 82 -12.339 7.272 5.451 622 HZ3 LYS 82 3HZ LYS 82 -11.717 7.457 3.889 623 H SER 83 H SER 83 -7.285 2.245 7.362 624 HA SER 83 HA SER 83 -8.440 1.754 9.937 625 HB2 SER 83 1HB SER 83 -8.965 0.344 7.976 626 HB3 SER 83 2HB SER 83 -7.290 -0.206 7.934 627 HG SER 83 HG SER 83 -9.165 -0.611 10.027 628 H GLY 84 H GLY 84 -5.229 1.543 8.532 629 HA2 GLY 84 1HA GLY 84 -4.042 0.115 10.697 630 HA3 GLY 84 2HA GLY 84 -3.185 1.006 9.447 631 H GLY 85 H GLY 85 -4.330 3.554 9.907 632 HA2 GLY 85 1HA GLY 85 -4.607 4.894 12.057 633 HA3 GLY 85 2HA GLY 85 -3.067 4.175 12.500 634 H ARG 86 H ARG 86 -1.537 5.673 12.394 635 HA ARG 86 HA ARG 86 -1.696 7.764 10.361 636 HB2 ARG 86 1HB ARG 86 -0.351 7.456 12.982 637 HB3 ARG 86 2HB ARG 86 0.510 8.403 11.776 638 HG2 ARG 86 1HG ARG 86 -1.018 10.087 11.799 639 HG3 ARG 86 2HG ARG 86 -2.357 9.015 12.215 640 HD2 ARG 86 1HD ARG 86 -1.731 8.945 14.484 641 HD3 ARG 86 2HD ARG 86 -0.141 9.629 14.147 642 HE ARG 86 HE ARG 86 -2.572 11.065 14.591 643 HH11 ARG 86 2HH1 ARG 86 0.498 11.154 12.952 644 HH12 ARG 86 1HH1 ARG 86 0.561 12.884 12.887 645 HH21 ARG 86 2HH2 ARG 86 -2.501 13.344 14.511 646 HH22 ARG 86 1HH2 ARG 86 -1.146 14.129 13.774 647 H ARG 87 H ARG 87 -0.068 4.828 10.995 648 HA ARG 87 HA ARG 87 1.991 5.459 8.989 649 HB2 ARG 87 1HB ARG 87 1.979 3.186 10.982 650 HB3 ARG 87 2HB ARG 87 3.301 3.647 9.918 651 HG2 ARG 87 1HG ARG 87 3.858 5.486 11.177 652 HG3 ARG 87 2HG ARG 87 2.240 5.636 11.865 653 HD2 ARG 87 1HD ARG 87 3.904 3.231 12.477 654 HD3 ARG 87 2HD ARG 87 4.206 4.745 13.328 655 HE ARG 87 HE ARG 87 1.446 3.977 13.355 656 HH11 ARG 87 2HH1 ARG 87 4.535 3.521 14.895 657 HH12 ARG 87 1HH1 ARG 87 3.853 3.045 16.415 658 HH21 ARG 87 2HH2 ARG 87 0.536 3.352 15.351 659 HH22 ARG 87 1HH2 ARG 87 1.579 2.948 16.673 660 H VAL 88 H VAL 88 1.764 4.602 7.038 661 HA VAL 88 HA VAL 88 0.169 2.138 6.757 662 HB VAL 88 HB VAL 88 -1.069 4.050 5.865 663 HG11 VAL 88 1HG1 VAL 88 1.362 5.052 5.145 664 HG12 VAL 88 2HG1 VAL 88 0.720 4.510 3.592 665 HG13 VAL 88 3HG1 VAL 88 -0.191 5.659 4.573 666 HG21 VAL 88 1HG2 VAL 88 -1.610 2.104 4.726 667 HG22 VAL 88 2HG2 VAL 88 -1.170 3.202 3.419 668 HG23 VAL 88 3HG2 VAL 88 -0.021 1.983 3.971 669 H ARG 89 H ARG 89 1.230 0.482 5.898 670 HA ARG 89 HA ARG 89 3.627 1.043 4.278 671 HB2 ARG 89 1HB ARG 89 4.395 0.057 6.288 672 HB3 ARG 89 2HB ARG 89 3.094 -1.126 6.297 673 HG2 ARG 89 1HG ARG 89 4.159 -1.981 4.110 674 HG3 ARG 89 2HG ARG 89 5.575 -1.067 4.632 675 HD2 ARG 89 1HD ARG 89 6.059 -3.067 5.606 676 HD3 ARG 89 2HD ARG 89 5.101 -2.351 6.901 677 HE ARG 89 HE ARG 89 3.459 -3.906 6.510 678 HH11 ARG 89 2HH1 ARG 89 5.737 -3.932 3.877 679 HH12 ARG 89 1HH1 ARG 89 5.080 -5.362 3.152 680 HH21 ARG 89 2HH2 ARG 89 2.586 -5.789 5.564 681 HH22 ARG 89 1HH2 ARG 89 3.287 -6.417 4.111 682 H LEU 90 H LEU 90 3.228 0.626 2.211 683 HA LEU 90 HA LEU 90 1.684 -1.792 1.545 684 HB2 LEU 90 1HB LEU 90 1.203 -0.334 -0.616 685 HB3 LEU 90 2HB LEU 90 0.177 -0.270 0.816 686 HG LEU 90 HG LEU 90 2.406 1.678 0.672 687 HD11 LEU 90 1HD1 LEU 90 1.338 1.540 -1.638 688 HD12 LEU 90 2HD1 LEU 90 1.379 3.121 -0.858 689 HD13 LEU 90 3HD1 LEU 90 -0.115 2.184 -0.874 690 HD21 LEU 90 1HD2 LEU 90 -0.070 2.850 1.288 691 HD22 LEU 90 2HD2 LEU 90 1.242 2.449 2.397 692 HD23 LEU 90 3HD2 LEU 90 -0.048 1.284 2.099 693 H LEU 91 H LEU 91 2.363 -2.978 -0.242 694 HA LEU 91 HA LEU 91 5.161 -2.649 -0.910 695 HB2 LEU 91 1HB LEU 91 3.964 -4.849 -0.386 696 HB3 LEU 91 2HB LEU 91 3.305 -4.734 -2.016 697 HG LEU 91 HG LEU 91 6.232 -4.919 -1.303 698 HD11 LEU 91 1HD1 LEU 91 4.234 -6.923 -2.305 699 HD12 LEU 91 2HD1 LEU 91 5.303 -7.036 -0.908 700 HD13 LEU 91 3HD1 LEU 91 5.970 -7.127 -2.537 701 HD21 LEU 91 1HD2 LEU 91 6.262 -3.755 -3.286 702 HD22 LEU 91 2HD2 LEU 91 4.763 -4.483 -3.864 703 HD23 LEU 91 3HD2 LEU 91 6.259 -5.419 -3.869 704 H LEU 92 H LEU 92 5.734 -1.326 -2.497 705 HA LEU 92 HA LEU 92 4.086 -1.274 -4.938 706 HB2 LEU 92 1HB LEU 92 4.092 0.808 -3.402 707 HB3 LEU 92 2HB LEU 92 5.715 1.072 -4.037 708 HG LEU 92 HG LEU 92 4.538 0.929 -6.357 709 HD11 LEU 92 1HD1 LEU 92 2.303 1.085 -6.479 710 HD12 LEU 92 2HD1 LEU 92 2.193 2.136 -5.068 711 HD13 LEU 92 3HD1 LEU 92 2.348 0.392 -4.858 712 HD21 LEU 92 1HD2 LEU 92 5.089 3.056 -4.517 713 HD22 LEU 92 2HD2 LEU 92 3.675 3.458 -5.492 714 HD23 LEU 92 3HD2 LEU 92 5.200 3.045 -6.277 715 H LYS 93 H LYS 93 5.194 -1.010 -6.916 716 HA LYS 93 HA LYS 93 8.113 -1.313 -6.810 717 HB2 LYS 93 1HB LYS 93 8.123 -3.130 -8.329 718 HB3 LYS 93 2HB LYS 93 6.929 -3.537 -7.103 719 HG2 LYS 93 1HG LYS 93 5.246 -2.473 -8.781 720 HG3 LYS 93 2HG LYS 93 6.528 -2.771 -9.957 721 HD2 LYS 93 1HD LYS 93 6.461 -5.095 -9.599 722 HD3 LYS 93 2HD LYS 93 5.540 -4.921 -8.103 723 HE2 LYS 93 1HE LYS 93 3.652 -4.016 -9.467 724 HE3 LYS 93 2HE LYS 93 4.574 -4.418 -10.914 725 HZ1 LYS 93 1HZ LYS 93 3.386 -6.313 -10.720 726 HZ2 LYS 93 2HZ LYS 93 3.192 -6.175 -9.045 727 HZ3 LYS 93 3HZ LYS 93 4.651 -6.746 -9.683 728 H ARG 94 H ARG 94 9.155 -0.015 -8.183 729 HA ARG 94 HA ARG 94 7.644 1.727 -9.905 730 HB2 ARG 94 1HB ARG 94 9.518 2.636 -8.668 731 HB3 ARG 94 2HB ARG 94 10.613 1.473 -9.402 732 HG2 ARG 94 1HG ARG 94 11.056 3.342 -10.643 733 HG3 ARG 94 2HG ARG 94 9.815 2.571 -11.633 734 HD2 ARG 94 1HD ARG 94 8.234 4.136 -11.114 735 HD3 ARG 94 2HD ARG 94 8.934 4.473 -9.530 736 HE ARG 94 HE ARG 94 10.234 6.101 -10.486 737 HH11 ARG 94 2HH1 ARG 94 8.877 4.095 -12.987 738 HH12 ARG 94 1HH1 ARG 94 9.406 5.122 -14.278 739 HH21 ARG 94 2HH2 ARG 94 10.935 7.462 -12.177 740 HH22 ARG 94 1HH2 ARG 94 10.577 7.036 -13.816 741 H GLY 95 H GLY 95 7.620 1.787 -12.120 742 HA2 GLY 95 1HA GLY 95 8.342 -0.691 -13.452 743 HA3 GLY 95 2HA GLY 95 7.418 0.636 -14.141 744 H THR 96 H THR 96 10.566 0.900 -12.581 745 HA THR 96 HA THR 96 11.621 2.239 -14.913 746 HB THR 96 HB THR 96 12.155 3.041 -12.631 747 HG1 THR 96 1HG THR 96 14.592 2.172 -13.749 748 HG21 THR 96 1HG2 THR 96 13.468 1.842 -11.117 749 HG22 THR 96 2HG2 THR 96 14.021 0.707 -12.348 750 HG23 THR 96 3HG2 THR 96 12.364 0.622 -11.751 751 H GLY 97 H GLY 97 11.856 -0.898 -13.410 752 HA2 GLY 97 1HA GLY 97 12.589 -2.861 -14.442 753 HA3 GLY 97 2HA GLY 97 13.284 -1.895 -15.735 754 H SER 98 H SER 98 14.865 -3.818 -15.080 755 HA SER 98 HA SER 98 16.610 -3.124 -12.874 756 HB2 SER 98 1HB SER 98 17.931 -5.123 -13.726 757 HB3 SER 98 2HB SER 98 16.286 -5.463 -13.190 758 HG SER 98 HG SER 98 16.175 -6.371 -15.097 759 H GLY 99 H GLY 99 16.234 -1.882 -15.852 760 HA2 GLY 99 1HA GLY 99 17.960 -0.111 -16.307 761 HA3 GLY 99 2HA GLY 99 19.129 -1.420 -16.219 762 HA PRO 100 HA PRO 100 18.122 -0.856 -20.674 763 HB2 PRO 100 1HB PRO 100 20.668 -1.268 -21.522 764 HB3 PRO 100 2HB PRO 100 20.076 0.310 -20.988 765 HG2 PRO 100 1HG PRO 100 21.683 -1.719 -19.484 766 HG3 PRO 100 2HG PRO 100 21.879 0.042 -19.543 767 HD2 PRO 100 1HD PRO 100 20.663 -1.220 -17.479 768 HD3 PRO 100 2HD PRO 100 20.194 0.407 -18.013 769 H SER 101 H SER 101 17.118 -2.628 -21.402 770 HA SER 101 HA SER 101 18.202 -5.271 -20.907 771 HB2 SER 101 1HB SER 101 15.721 -4.527 -22.470 772 HB3 SER 101 2HB SER 101 16.123 -6.108 -21.802 773 HG SER 101 HG SER 101 15.108 -3.857 -20.553 774 H SER 102 H SER 102 20.103 -5.194 -22.170 775 HA SER 102 HA SER 102 19.705 -6.003 -24.898 776 HB2 SER 102 1HB SER 102 19.680 -3.568 -25.186 777 HB3 SER 102 2HB SER 102 21.220 -3.441 -24.337 778 HG SER 102 HG SER 102 22.203 -4.557 -26.011 779 H GLY 103 H GLY 103 21.356 -7.265 -25.633 780 HA2 GLY 103 1HA GLY 103 24.022 -7.213 -24.955 781 HA3 GLY 103 2HA GLY 103 23.258 -8.185 -23.707 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.481 -23.520 -23.096 2 HA2 GLY 1 1HA GLY 1 3.567 -24.320 -23.625 3 HA3 GLY 1 2HA GLY 1 3.291 -23.703 -25.247 4 H SER 2 H SER 2 4.458 -22.013 -25.922 5 HA SER 2 HA SER 2 6.665 -21.094 -24.491 6 HB2 SER 2 1HB SER 2 6.303 -20.977 -26.998 7 HB3 SER 2 2HB SER 2 5.299 -19.557 -26.706 8 HG SER 2 HG SER 2 7.064 -18.477 -25.923 9 H SER 3 H SER 3 3.550 -19.479 -25.086 10 HA SER 3 HA SER 3 4.249 -17.407 -23.151 11 HB2 SER 3 1HB SER 3 3.188 -16.882 -25.402 12 HB3 SER 3 2HB SER 3 1.706 -17.598 -24.770 13 HG SER 3 HG SER 3 1.472 -15.957 -23.399 14 H GLY 4 H GLY 4 4.183 -18.880 -21.326 15 HA2 GLY 4 1HA GLY 4 1.709 -20.152 -20.606 16 HA3 GLY 4 2HA GLY 4 3.148 -20.025 -19.605 17 H SER 5 H SER 5 1.732 -19.594 -17.820 18 HA SER 5 HA SER 5 -0.170 -17.653 -17.570 19 HB2 SER 5 1HB SER 5 1.928 -18.503 -15.565 20 HB3 SER 5 2HB SER 5 0.555 -17.473 -15.159 21 HG SER 5 HG SER 5 0.021 -19.861 -16.493 22 H SER 6 H SER 6 -0.256 -15.491 -17.544 23 HA SER 6 HA SER 6 2.230 -14.027 -17.990 24 HB2 SER 6 1HB SER 6 -0.673 -13.430 -18.460 25 HB3 SER 6 2HB SER 6 0.495 -12.111 -18.386 26 HG SER 6 HG SER 6 0.006 -13.216 -20.513 27 H GLY 7 H GLY 7 3.179 -13.732 -16.021 28 HA2 GLY 7 1HA GLY 7 2.374 -11.619 -14.400 29 HA3 GLY 7 2HA GLY 7 1.780 -13.089 -13.643 30 H GLN 8 H GLN 8 4.563 -11.171 -14.394 31 HA GLN 8 HA GLN 8 6.175 -12.923 -12.664 32 HB2 GLN 8 1HB GLN 8 7.242 -11.401 -15.044 33 HB3 GLN 8 2HB GLN 8 8.126 -12.527 -14.023 34 HG2 GLN 8 1HG GLN 8 5.709 -13.501 -15.451 35 HG3 GLN 8 2HG GLN 8 7.192 -13.241 -16.370 36 HE21 GLN 8 1HE2 GLN 8 6.505 -15.689 -16.490 37 HE22 GLN 8 2HE2 GLN 8 7.359 -16.714 -15.392 38 H ASP 9 H ASP 9 5.792 -11.620 -10.867 39 HA ASP 9 HA ASP 9 5.815 -8.919 -10.595 40 HB2 ASP 9 1HB ASP 9 6.956 -9.386 -8.311 41 HB3 ASP 9 2HB ASP 9 5.378 -10.100 -8.631 42 H PHE 10 H PHE 10 7.462 -7.406 -9.834 43 HA PHE 10 HA PHE 10 10.234 -7.986 -10.206 44 HB2 PHE 10 1HB PHE 10 10.641 -6.521 -12.118 45 HB3 PHE 10 2HB PHE 10 9.538 -7.819 -12.564 46 HD1 PHE 10 2HD PHE 10 7.079 -7.323 -12.704 47 HD2 PHE 10 1HD PHE 10 10.024 -4.272 -12.339 48 HE1 PHE 10 2HE PHE 10 5.456 -5.664 -13.519 49 HE2 PHE 10 1HE PHE 10 8.405 -2.607 -13.153 50 HZ PHE 10 HZ PHE 10 6.118 -3.302 -13.745 51 H ASP 11 H ASP 11 11.375 -6.664 -8.943 52 HA ASP 11 HA ASP 11 11.935 -4.939 -7.570 53 HB2 ASP 11 1HB ASP 11 11.372 -3.735 -9.859 54 HB3 ASP 11 2HB ASP 11 10.020 -3.094 -8.930 55 H TYR 12 H TYR 12 10.045 -6.637 -6.574 56 HA TYR 12 HA TYR 12 7.764 -5.207 -5.576 57 HB2 TYR 12 1HB TYR 12 8.854 -7.957 -5.330 58 HB3 TYR 12 2HB TYR 12 7.824 -7.396 -4.018 59 HD1 TYR 12 1HD TYR 12 7.448 -6.414 -7.561 60 HD2 TYR 12 2HD TYR 12 5.973 -8.840 -4.391 61 HE1 TYR 12 1HE TYR 12 5.457 -6.946 -8.903 62 HE2 TYR 12 2HE TYR 12 3.978 -9.380 -5.725 63 HH TYR 12 HH TYR 12 2.852 -8.976 -7.600 64 H PHE 13 H PHE 13 8.687 -3.423 -4.502 65 HA PHE 13 HA PHE 13 10.122 -4.068 -2.013 66 HB2 PHE 13 1HB PHE 13 11.068 -1.861 -2.068 67 HB3 PHE 13 2HB PHE 13 11.294 -2.579 -3.660 68 HD1 PHE 13 2HD PHE 13 9.187 -0.220 -1.739 69 HD2 PHE 13 1HD PHE 13 10.451 -1.544 -5.581 70 HE1 PHE 13 2HE PHE 13 8.086 1.725 -2.767 71 HE2 PHE 13 1HE PHE 13 9.353 0.400 -6.616 72 HZ PHE 13 HZ PHE 13 8.168 2.037 -5.209 73 H THR 14 H THR 14 9.549 -2.943 -0.089 74 HA THR 14 HA THR 14 6.697 -2.330 0.031 75 HB THR 14 HB THR 14 7.017 -2.400 2.500 76 HG1 THR 14 1HG THR 14 9.456 -1.964 2.071 77 HG21 THR 14 1HG2 THR 14 8.067 -4.951 2.201 78 HG22 THR 14 2HG2 THR 14 7.333 -4.602 0.635 79 HG23 THR 14 3HG2 THR 14 6.364 -4.502 2.105 80 H VAL 15 H VAL 15 5.974 -0.513 1.399 81 HA VAL 15 HA VAL 15 7.836 1.769 1.291 82 HB VAL 15 HB VAL 15 4.868 1.927 0.761 83 HG11 VAL 15 1HG1 VAL 15 5.152 4.095 1.159 84 HG12 VAL 15 2HG1 VAL 15 6.894 3.886 1.347 85 HG13 VAL 15 3HG1 VAL 15 6.205 4.161 -0.254 86 HG21 VAL 15 1HG2 VAL 15 7.146 1.399 -1.018 87 HG22 VAL 15 2HG2 VAL 15 5.432 1.046 -1.233 88 HG23 VAL 15 3HG2 VAL 15 6.047 2.666 -1.563 89 H ASP 16 H ASP 16 7.718 3.261 2.957 90 HA ASP 16 HA ASP 16 5.841 2.694 5.142 91 HB2 ASP 16 1HB ASP 16 7.979 1.588 5.682 92 HB3 ASP 16 2HB ASP 16 8.814 3.128 5.502 93 H MET 17 H MET 17 4.804 4.471 5.741 94 HA MET 17 HA MET 17 6.159 7.015 5.909 95 HB2 MET 17 1HB MET 17 3.667 7.138 4.298 96 HB3 MET 17 2HB MET 17 5.094 8.163 4.240 97 HG2 MET 17 1HG MET 17 6.317 6.413 3.068 98 HG3 MET 17 2HG MET 17 4.899 5.369 3.142 99 HE1 MET 17 1HE MET 17 2.703 8.271 2.310 100 HE2 MET 17 2HE MET 17 2.312 7.148 1.008 101 HE3 MET 17 3HE MET 17 2.598 6.542 2.640 102 H GLU 18 H GLU 18 4.445 8.764 6.553 103 HA GLU 18 HA GLU 18 2.605 7.516 8.487 104 HB2 GLU 18 1HB GLU 18 4.429 9.874 8.712 105 HB3 GLU 18 2HB GLU 18 2.940 9.858 9.646 106 HG2 GLU 18 1HG GLU 18 4.266 8.878 11.176 107 HG3 GLU 18 2HG GLU 18 3.850 7.427 10.267 108 H LYS 19 H LYS 19 0.888 9.211 9.220 109 HA LYS 19 HA LYS 19 -0.488 10.049 6.805 110 HB2 LYS 19 1HB LYS 19 -1.604 8.792 8.696 111 HB3 LYS 19 2HB LYS 19 -1.463 10.260 9.654 112 HG2 LYS 19 1HG LYS 19 -2.944 11.439 8.258 113 HG3 LYS 19 2HG LYS 19 -2.853 10.210 6.994 114 HD2 LYS 19 1HD LYS 19 -3.949 9.644 9.739 115 HD3 LYS 19 2HD LYS 19 -4.958 10.219 8.409 116 HE2 LYS 19 1HE LYS 19 -3.200 7.872 7.922 117 HE3 LYS 19 2HE LYS 19 -4.636 7.637 8.917 118 HZ1 LYS 19 1HZ LYS 19 -5.202 7.182 6.665 119 HZ2 LYS 19 2HZ LYS 19 -4.540 8.642 6.127 120 HZ3 LYS 19 3HZ LYS 19 -5.937 8.649 7.081 121 H GLY 20 H GLY 20 -1.688 12.178 6.871 122 HA2 GLY 20 1HA GLY 20 0.009 14.255 8.113 123 HA3 GLY 20 2HA GLY 20 -0.584 14.395 6.465 124 H ALA 21 H ALA 21 -2.192 15.793 6.295 125 HA ALA 21 HA ALA 21 -3.807 16.468 8.605 126 HB1 ALA 21 1HB ALA 21 -4.587 17.695 6.082 127 HB2 ALA 21 2HB ALA 21 -4.103 18.442 7.606 128 HB3 ALA 21 3HB ALA 21 -2.876 17.909 6.456 129 H LYS 22 H LYS 22 -4.484 15.441 5.254 130 HA LYS 22 HA LYS 22 -7.019 14.294 6.223 131 HB2 LYS 22 1HB LYS 22 -6.893 16.242 4.430 132 HB3 LYS 22 2HB LYS 22 -6.592 14.901 3.332 133 HG2 LYS 22 1HG LYS 22 -8.702 14.095 3.512 134 HG3 LYS 22 2HG LYS 22 -8.887 14.637 5.181 135 HD2 LYS 22 1HD LYS 22 -8.655 16.714 3.070 136 HD3 LYS 22 2HD LYS 22 -10.165 15.803 3.163 137 HE2 LYS 22 1HE LYS 22 -8.975 16.999 5.633 138 HE3 LYS 22 2HE LYS 22 -9.894 18.009 4.519 139 HZ1 LYS 22 1HZ LYS 22 -11.546 17.303 5.893 140 HZ2 LYS 22 2HZ LYS 22 -10.812 15.817 6.228 141 HZ3 LYS 22 3HZ LYS 22 -11.604 16.055 4.752 142 H GLY 23 H GLY 23 -4.297 13.077 6.102 143 HA2 GLY 23 1HA GLY 23 -4.480 10.542 5.824 144 HA3 GLY 23 2HA GLY 23 -4.811 10.934 4.143 145 H PHE 24 H PHE 24 -2.932 9.516 3.781 146 HA PHE 24 HA PHE 24 -0.336 10.519 4.548 147 HB2 PHE 24 1HB PHE 24 -1.163 8.230 2.753 148 HB3 PHE 24 2HB PHE 24 0.506 8.612 3.164 149 HD1 PHE 24 2HD PHE 24 -2.762 7.689 4.659 150 HD2 PHE 24 1HD PHE 24 1.471 7.763 5.103 151 HE1 PHE 24 2HE PHE 24 -2.954 6.313 6.690 152 HE2 PHE 24 1HE PHE 24 1.285 6.386 7.134 153 HZ PHE 24 HZ PHE 24 -0.930 5.661 7.931 154 H GLY 25 H GLY 25 -1.859 12.372 3.038 155 HA2 GLY 25 1HA GLY 25 -1.850 13.597 1.064 156 HA3 GLY 25 2HA GLY 25 -0.120 13.550 1.372 157 H PHE 26 H PHE 26 -2.230 10.868 0.438 158 HA PHE 26 HA PHE 26 -1.209 10.877 -2.272 159 HB2 PHE 26 1HB PHE 26 0.061 8.956 -2.208 160 HB3 PHE 26 2HB PHE 26 0.405 9.607 -0.609 161 HD1 PHE 26 2HD PHE 26 -2.086 7.388 -2.281 162 HD2 PHE 26 1HD PHE 26 0.273 8.174 1.174 163 HE1 PHE 26 2HE PHE 26 -2.887 5.296 -1.262 164 HE2 PHE 26 1HE PHE 26 -0.524 6.084 2.198 165 HZ PHE 26 HZ PHE 26 -2.107 4.642 0.981 166 H SER 27 H SER 27 -2.571 9.897 -3.687 167 HA SER 27 HA SER 27 -4.957 8.613 -2.531 168 HB2 SER 27 1HB SER 27 -5.329 10.785 -3.727 169 HB3 SER 27 2HB SER 27 -4.749 10.016 -5.204 170 HG SER 27 HG SER 27 -6.494 8.667 -5.186 171 H ILE 28 H ILE 28 -6.033 7.021 -3.992 172 HA ILE 28 HA ILE 28 -4.065 5.521 -5.590 173 HB ILE 28 HB ILE 28 -5.659 3.524 -4.747 174 HG12 ILE 28 1HG1 ILE 28 -5.353 5.164 -2.248 175 HG13 ILE 28 2HG1 ILE 28 -6.792 5.320 -3.249 176 HG21 ILE 28 1HG2 ILE 28 -3.873 2.869 -3.288 177 HG22 ILE 28 2HG2 ILE 28 -3.177 3.678 -4.691 178 HG23 ILE 28 3HG2 ILE 28 -3.309 4.535 -3.155 179 HD11 ILE 28 1HD1 ILE 28 -7.121 2.858 -3.005 180 HD12 ILE 28 2HD1 ILE 28 -5.806 2.864 -1.830 181 HD13 ILE 28 3HD1 ILE 28 -7.277 3.783 -1.511 182 H ARG 29 H ARG 29 -5.172 3.865 -7.028 183 HA ARG 29 HA ARG 29 -7.855 4.618 -7.873 184 HB2 ARG 29 1HB ARG 29 -7.303 5.167 -10.093 185 HB3 ARG 29 2HB ARG 29 -6.133 6.041 -9.114 186 HG2 ARG 29 1HG ARG 29 -4.381 4.710 -9.768 187 HG3 ARG 29 2HG ARG 29 -5.427 3.341 -10.153 188 HD2 ARG 29 1HD ARG 29 -4.838 4.079 -12.255 189 HD3 ARG 29 2HD ARG 29 -6.361 4.930 -11.994 190 HE ARG 29 HE ARG 29 -5.206 6.925 -11.886 191 HH11 ARG 29 2HH1 ARG 29 -2.980 4.248 -11.897 192 HH12 ARG 29 1HH1 ARG 29 -1.585 5.241 -12.161 193 HH21 ARG 29 2HH2 ARG 29 -3.377 8.242 -12.234 194 HH22 ARG 29 1HH2 ARG 29 -1.812 7.513 -12.351 195 H GLY 30 H GLY 30 -8.739 3.109 -9.497 196 HA2 GLY 30 1HA GLY 30 -9.000 1.014 -10.449 197 HA3 GLY 30 2HA GLY 30 -7.350 0.634 -9.979 198 H GLY 31 H GLY 31 -8.446 -1.483 -9.530 199 HA2 GLY 31 1HA GLY 31 -8.418 -2.521 -7.204 200 HA3 GLY 31 2HA GLY 31 -9.780 -1.454 -6.899 201 H ARG 32 H ARG 32 -10.121 -4.102 -6.485 202 HA ARG 32 HA ARG 32 -10.902 -5.748 -8.538 203 HB2 ARG 32 1HB ARG 32 -11.750 -5.446 -5.700 204 HB3 ARG 32 2HB ARG 32 -12.733 -6.467 -6.741 205 HG2 ARG 32 1HG ARG 32 -9.778 -6.790 -6.256 206 HG3 ARG 32 2HG ARG 32 -11.059 -7.754 -5.518 207 HD2 ARG 32 1HD ARG 32 -10.520 -9.128 -7.253 208 HD3 ARG 32 2HD ARG 32 -11.732 -8.126 -8.050 209 HE ARG 32 HE ARG 32 -9.204 -6.951 -8.384 210 HH11 ARG 32 2HH1 ARG 32 -11.030 -9.730 -9.414 211 HH12 ARG 32 1HH1 ARG 32 -10.202 -9.876 -10.929 212 HH21 ARG 32 2HH2 ARG 32 -8.106 -7.132 -10.375 213 HH22 ARG 32 1HH2 ARG 32 -8.538 -8.398 -11.474 214 H GLU 33 H GLU 33 -12.517 -2.931 -7.300 215 HA GLU 33 HA GLU 33 -15.106 -3.404 -8.279 216 HB2 GLU 33 1HB GLU 33 -14.105 -1.500 -6.738 217 HB3 GLU 33 2HB GLU 33 -13.991 -0.635 -8.264 218 HG2 GLU 33 1HG GLU 33 -16.483 -1.355 -8.529 219 HG3 GLU 33 2HG GLU 33 -16.406 -1.546 -6.778 220 H TYR 34 H TYR 34 -12.218 -2.119 -9.809 221 HA TYR 34 HA TYR 34 -13.704 -1.847 -12.335 222 HB2 TYR 34 1HB TYR 34 -10.954 -0.734 -11.835 223 HB3 TYR 34 2HB TYR 34 -12.134 -0.243 -13.045 224 HD1 TYR 34 1HD TYR 34 -14.271 0.898 -12.225 225 HD2 TYR 34 2HD TYR 34 -10.832 0.373 -9.775 226 HE1 TYR 34 1HE TYR 34 -15.074 2.676 -10.727 227 HE2 TYR 34 2HE TYR 34 -11.625 2.149 -8.271 228 HH TYR 34 HH TYR 34 -13.091 3.944 -8.153 229 H LYS 35 H LYS 35 -12.195 -4.182 -10.871 230 HA LYS 35 HA LYS 35 -11.026 -6.036 -11.478 231 HB2 LYS 35 1HB LYS 35 -11.874 -5.118 -14.230 232 HB3 LYS 35 2HB LYS 35 -11.141 -6.680 -13.891 233 HG2 LYS 35 1HG LYS 35 -13.665 -5.777 -12.544 234 HG3 LYS 35 2HG LYS 35 -13.667 -6.605 -14.103 235 HD2 LYS 35 1HD LYS 35 -12.123 -8.307 -12.790 236 HD3 LYS 35 2HD LYS 35 -12.976 -7.634 -11.399 237 HE2 LYS 35 1HE LYS 35 -15.107 -8.229 -12.375 238 HE3 LYS 35 2HE LYS 35 -14.310 -8.796 -13.841 239 HZ1 LYS 35 1HZ LYS 35 -14.970 -10.347 -11.736 240 HZ2 LYS 35 2HZ LYS 35 -13.336 -10.034 -11.431 241 HZ3 LYS 35 3HZ LYS 35 -13.803 -10.739 -12.896 242 H MET 36 H MET 36 -9.414 -3.935 -10.890 243 HA MET 36 HA MET 36 -7.091 -4.522 -12.519 244 HB2 MET 36 1HB MET 36 -6.540 -2.155 -12.906 245 HB3 MET 36 2HB MET 36 -8.037 -2.617 -13.705 246 HG2 MET 36 1HG MET 36 -9.162 -1.691 -11.557 247 HG3 MET 36 2HG MET 36 -7.624 -0.862 -11.329 248 HE1 MET 36 1HE MET 36 -7.415 1.887 -13.510 249 HE2 MET 36 2HE MET 36 -8.429 2.038 -12.074 250 HE3 MET 36 3HE MET 36 -7.004 0.998 -12.043 251 H ASP 37 H ASP 37 -5.091 -3.620 -11.561 252 HA ASP 37 HA ASP 37 -5.052 -4.060 -8.753 253 HB2 ASP 37 1HB ASP 37 -2.843 -2.818 -10.394 254 HB3 ASP 37 2HB ASP 37 -2.691 -3.718 -8.888 255 H LEU 38 H LEU 38 -3.846 -2.454 -7.292 256 HA LEU 38 HA LEU 38 -5.238 0.107 -7.507 257 HB2 LEU 38 1HB LEU 38 -3.794 -1.231 -5.228 258 HB3 LEU 38 2HB LEU 38 -4.472 0.392 -5.136 259 HG LEU 38 HG LEU 38 -6.277 -1.846 -5.906 260 HD11 LEU 38 1HD1 LEU 38 -6.087 -1.366 -3.022 261 HD12 LEU 38 2HD1 LEU 38 -4.707 -2.212 -3.721 262 HD13 LEU 38 3HD1 LEU 38 -6.332 -2.868 -3.913 263 HD21 LEU 38 1HD2 LEU 38 -7.904 -0.505 -4.722 264 HD22 LEU 38 2HD2 LEU 38 -7.033 0.500 -5.881 265 HD23 LEU 38 3HD2 LEU 38 -6.638 0.589 -4.164 266 H TYR 39 H TYR 39 -4.197 1.763 -8.376 267 HA TYR 39 HA TYR 39 -1.269 1.900 -8.084 268 HB2 TYR 39 1HB TYR 39 -2.827 3.359 -10.203 269 HB3 TYR 39 2HB TYR 39 -1.115 2.950 -10.183 270 HD1 TYR 39 1HD TYR 39 -4.498 1.406 -10.367 271 HD2 TYR 39 2HD TYR 39 -0.358 1.031 -11.274 272 HE1 TYR 39 1HE TYR 39 -4.975 -0.620 -11.679 273 HE2 TYR 39 2HE TYR 39 -0.823 -0.995 -12.589 274 HH TYR 39 HH TYR 39 -3.251 -2.819 -12.358 275 H VAL 40 H VAL 40 -0.407 4.184 -8.169 276 HA VAL 40 HA VAL 40 -1.780 5.742 -6.160 277 HB VAL 40 HB VAL 40 0.796 6.387 -7.600 278 HG11 VAL 40 1HG1 VAL 40 0.313 8.365 -6.595 279 HG12 VAL 40 2HG1 VAL 40 -0.707 7.619 -5.363 280 HG13 VAL 40 3HG1 VAL 40 1.049 7.550 -5.216 281 HG21 VAL 40 1HG2 VAL 40 0.221 4.330 -5.708 282 HG22 VAL 40 2HG2 VAL 40 1.764 4.750 -6.451 283 HG23 VAL 40 3HG2 VAL 40 1.267 5.531 -4.950 284 H LEU 41 H LEU 41 -3.516 6.816 -6.935 285 HA LEU 41 HA LEU 41 -3.887 7.856 -9.473 286 HB2 LEU 41 1HB LEU 41 -5.586 7.594 -7.625 287 HB3 LEU 41 2HB LEU 41 -4.967 9.103 -6.956 288 HG LEU 41 HG LEU 41 -6.988 9.549 -8.174 289 HD11 LEU 41 1HD1 LEU 41 -6.253 11.382 -9.310 290 HD12 LEU 41 2HD1 LEU 41 -4.951 10.505 -10.112 291 HD13 LEU 41 3HD1 LEU 41 -4.781 10.982 -8.423 292 HD21 LEU 41 1HD2 LEU 41 -5.771 7.731 -10.132 293 HD22 LEU 41 2HD2 LEU 41 -6.568 9.144 -10.824 294 HD23 LEU 41 3HD2 LEU 41 -7.468 8.048 -9.775 295 H ARG 42 H ARG 42 -3.156 9.836 -6.595 296 HA ARG 42 HA ARG 42 -1.234 11.388 -8.120 297 HB2 ARG 42 1HB ARG 42 -2.932 12.805 -8.714 298 HB3 ARG 42 2HB ARG 42 -3.910 12.394 -7.311 299 HG2 ARG 42 1HG ARG 42 -1.389 13.927 -6.913 300 HG3 ARG 42 2HG ARG 42 -2.815 14.756 -7.541 301 HD2 ARG 42 1HD ARG 42 -2.932 13.051 -5.072 302 HD3 ARG 42 2HD ARG 42 -2.456 14.747 -5.006 303 HE ARG 42 HE ARG 42 -5.093 13.734 -5.279 304 HH11 ARG 42 2HH1 ARG 42 -3.013 16.339 -6.284 305 HH12 ARG 42 1HH1 ARG 42 -4.313 17.460 -6.518 306 HH21 ARG 42 2HH2 ARG 42 -6.813 15.201 -5.583 307 HH22 ARG 42 1HH2 ARG 42 -6.474 16.812 -6.118 308 H LEU 43 H LEU 43 0.164 12.635 -6.823 309 HA LEU 43 HA LEU 43 0.125 11.867 -3.986 310 HB2 LEU 43 1HB LEU 43 2.273 12.359 -5.967 311 HB3 LEU 43 2HB LEU 43 2.596 12.827 -4.299 312 HG LEU 43 HG LEU 43 1.820 10.053 -5.200 313 HD11 LEU 43 1HD1 LEU 43 3.990 10.462 -6.040 314 HD12 LEU 43 2HD1 LEU 43 4.205 9.551 -4.545 315 HD13 LEU 43 3HD1 LEU 43 4.486 11.292 -4.564 316 HD21 LEU 43 1HD2 LEU 43 2.527 9.431 -2.915 317 HD22 LEU 43 2HD2 LEU 43 1.114 10.486 -2.935 318 HD23 LEU 43 3HD2 LEU 43 2.700 11.143 -2.530 319 H ALA 44 H ALA 44 0.619 13.414 -2.379 320 HA ALA 44 HA ALA 44 -0.275 16.096 -3.067 321 HB1 ALA 44 1HB ALA 44 -1.186 14.845 -1.099 322 HB2 ALA 44 2HB ALA 44 0.394 15.021 -0.334 323 HB3 ALA 44 3HB ALA 44 -0.560 16.451 -0.728 324 H GLU 45 H GLU 45 1.123 17.644 -3.558 325 HA GLU 45 HA GLU 45 3.904 17.394 -3.387 326 HB2 GLU 45 1HB GLU 45 3.990 19.766 -3.965 327 HB3 GLU 45 2HB GLU 45 2.792 18.928 -4.941 328 HG2 GLU 45 1HG GLU 45 1.108 19.737 -3.164 329 HG3 GLU 45 2HG GLU 45 2.377 20.875 -2.713 330 H ASP 46 H ASP 46 1.575 18.405 -1.055 331 HA ASP 46 HA ASP 46 3.746 19.248 0.752 332 HB2 ASP 46 1HB ASP 46 1.996 20.986 0.112 333 HB3 ASP 46 2HB ASP 46 0.845 20.026 1.038 334 H GLY 47 H GLY 47 2.659 16.529 0.200 335 HA2 GLY 47 1HA GLY 47 1.537 15.906 2.856 336 HA3 GLY 47 2HA GLY 47 1.342 14.907 1.424 337 HA PRO 48 HA PRO 48 4.992 13.541 4.142 338 HB2 PRO 48 1HB PRO 48 3.878 11.284 5.158 339 HB3 PRO 48 2HB PRO 48 3.762 12.856 5.957 340 HG2 PRO 48 1HG PRO 48 1.755 11.455 4.234 341 HG3 PRO 48 2HG PRO 48 1.504 12.339 5.750 342 HD2 PRO 48 1HD PRO 48 0.977 13.425 3.327 343 HD3 PRO 48 2HD PRO 48 1.538 14.393 4.705 344 H ALA 49 H ALA 49 2.734 11.950 1.987 345 HA ALA 49 HA ALA 49 4.287 9.666 1.397 346 HB1 ALA 49 1HB ALA 49 2.078 11.070 -0.077 347 HB2 ALA 49 2HB ALA 49 2.865 9.625 -0.713 348 HB3 ALA 49 3HB ALA 49 2.011 9.557 0.828 349 H ILE 50 H ILE 50 3.708 12.519 -0.673 350 HA ILE 50 HA ILE 50 5.556 12.036 -2.627 351 HB ILE 50 HB ILE 50 3.903 14.044 -2.279 352 HG12 ILE 50 1HG1 ILE 50 6.472 14.734 -3.671 353 HG13 ILE 50 2HG1 ILE 50 5.480 13.403 -4.256 354 HG21 ILE 50 1HG2 ILE 50 5.332 14.855 -0.324 355 HG22 ILE 50 2HG2 ILE 50 6.465 15.425 -1.548 356 HG23 ILE 50 3HG2 ILE 50 4.819 16.057 -1.507 357 HD11 ILE 50 1HD1 ILE 50 5.136 16.250 -4.581 358 HD12 ILE 50 2HD1 ILE 50 4.380 14.912 -5.447 359 HD13 ILE 50 3HD1 ILE 50 3.689 15.483 -3.928 360 H ARG 51 H ARG 51 6.153 12.928 0.654 361 HA ARG 51 HA ARG 51 8.871 13.792 0.188 362 HB2 ARG 51 1HB ARG 51 7.321 13.250 2.725 363 HB3 ARG 51 2HB ARG 51 8.982 13.828 2.695 364 HG2 ARG 51 1HG ARG 51 8.364 15.896 1.783 365 HG3 ARG 51 2HG ARG 51 6.769 15.306 1.313 366 HD2 ARG 51 1HD ARG 51 6.337 16.588 3.207 367 HD3 ARG 51 2HD ARG 51 6.396 14.940 3.831 368 HE ARG 51 HE ARG 51 8.928 16.268 3.964 369 HH11 ARG 51 2HH1 ARG 51 5.860 15.854 5.556 370 HH12 ARG 51 1HH1 ARG 51 6.473 16.255 7.126 371 HH21 ARG 51 2HH2 ARG 51 9.747 16.798 6.025 372 HH22 ARG 51 1HH2 ARG 51 8.684 16.793 7.392 373 H ASN 52 H ASN 52 7.199 10.873 1.131 374 HA ASN 52 HA ASN 52 9.312 9.422 2.230 375 HB2 ASN 52 1HB ASN 52 7.409 8.222 2.530 376 HB3 ASN 52 2HB ASN 52 6.695 8.786 1.022 377 HD21 ASN 52 1HD2 ASN 52 6.300 7.195 -0.317 378 HD22 ASN 52 2HD2 ASN 52 7.266 5.781 -0.542 379 H GLY 53 H GLY 53 8.093 9.245 -1.125 380 HA2 GLY 53 1HA GLY 53 9.503 9.302 -3.041 381 HA3 GLY 53 2HA GLY 53 10.853 8.816 -2.027 382 H ARG 54 H ARG 54 10.086 6.583 -0.808 383 HA ARG 54 HA ARG 54 10.551 4.522 -2.451 384 HB2 ARG 54 1HB ARG 54 8.627 4.564 -0.124 385 HB3 ARG 54 2HB ARG 54 9.165 3.086 -0.911 386 HG2 ARG 54 1HG ARG 54 11.192 5.010 0.123 387 HG3 ARG 54 2HG ARG 54 10.346 3.944 1.246 388 HD2 ARG 54 1HD ARG 54 11.174 2.007 0.194 389 HD3 ARG 54 2HD ARG 54 11.695 2.909 -1.229 390 HE ARG 54 HE ARG 54 13.113 2.625 1.271 391 HH11 ARG 54 2HH1 ARG 54 12.765 4.443 -1.678 392 HH12 ARG 54 1HH1 ARG 54 14.373 5.084 -1.625 393 HH21 ARG 54 2HH2 ARG 54 15.232 3.464 1.352 394 HH22 ARG 54 1HH2 ARG 54 15.776 4.526 0.098 395 H MET 55 H MET 55 7.545 6.267 -2.232 396 HA MET 55 HA MET 55 6.468 4.588 -4.399 397 HB2 MET 55 1HB MET 55 4.354 4.549 -3.470 398 HB3 MET 55 2HB MET 55 5.362 4.466 -2.031 399 HG2 MET 55 1HG MET 55 5.109 6.922 -1.781 400 HG3 MET 55 2HG MET 55 3.980 6.898 -3.134 401 HE1 MET 55 1HE MET 55 0.766 6.024 -1.893 402 HE2 MET 55 2HE MET 55 1.448 7.634 -1.662 403 HE3 MET 55 3HE MET 55 1.862 6.698 -3.099 404 H ARG 56 H ARG 56 5.360 5.634 -6.051 405 HA ARG 56 HA ARG 56 5.228 8.557 -5.960 406 HB2 ARG 56 1HB ARG 56 6.929 6.919 -7.746 407 HB3 ARG 56 2HB ARG 56 6.046 8.233 -8.512 408 HG2 ARG 56 1HG ARG 56 8.007 9.276 -7.965 409 HG3 ARG 56 2HG ARG 56 7.024 9.647 -6.547 410 HD2 ARG 56 1HD ARG 56 8.206 8.243 -5.190 411 HD3 ARG 56 2HD ARG 56 8.622 7.146 -6.506 412 HE ARG 56 HE ARG 56 9.885 9.740 -6.642 413 HH11 ARG 56 2HH1 ARG 56 10.107 6.461 -5.494 414 HH12 ARG 56 1HH1 ARG 56 11.834 6.486 -5.361 415 HH21 ARG 56 2HH2 ARG 56 12.159 9.785 -6.471 416 HH22 ARG 56 1HH2 ARG 56 13.000 8.378 -5.916 417 H VAL 57 H VAL 57 4.281 9.225 -8.315 418 HA VAL 57 HA VAL 57 1.662 8.016 -8.359 419 HB VAL 57 HB VAL 57 2.817 10.235 -10.053 420 HG11 VAL 57 1HG1 VAL 57 1.042 9.849 -11.357 421 HG12 VAL 57 2HG1 VAL 57 0.288 8.785 -10.168 422 HG13 VAL 57 3HG1 VAL 57 0.090 10.533 -10.040 423 HG21 VAL 57 1HG2 VAL 57 2.230 11.701 -8.459 424 HG22 VAL 57 2HG2 VAL 57 0.734 10.844 -8.084 425 HG23 VAL 57 3HG2 VAL 57 2.260 10.303 -7.385 426 H GLY 58 H GLY 58 0.780 6.746 -9.924 427 HA2 GLY 58 1HA GLY 58 0.648 5.781 -12.084 428 HA3 GLY 58 2HA GLY 58 2.330 6.214 -12.352 429 H ASP 59 H ASP 59 3.005 5.113 -9.632 430 HA ASP 59 HA ASP 59 3.929 2.613 -10.401 431 HB2 ASP 59 1HB ASP 59 3.421 3.820 -7.688 432 HB3 ASP 59 2HB ASP 59 4.091 2.201 -7.869 433 H GLN 60 H GLN 60 3.352 0.515 -9.238 434 HA GLN 60 HA GLN 60 0.422 0.221 -9.144 435 HB2 GLN 60 1HB GLN 60 1.678 -0.777 -11.159 436 HB3 GLN 60 2HB GLN 60 2.286 -1.971 -10.020 437 HG2 GLN 60 1HG GLN 60 -0.641 -1.503 -10.113 438 HG3 GLN 60 2HG GLN 60 0.106 -2.375 -11.450 439 HE21 GLN 60 1HE2 GLN 60 -0.986 -2.526 -8.233 440 HE22 GLN 60 2HE2 GLN 60 -0.523 -4.157 -7.903 441 H ILE 61 H ILE 61 -0.269 -0.309 -7.190 442 HA ILE 61 HA ILE 61 1.564 -1.504 -5.269 443 HB ILE 61 HB ILE 61 -1.297 -0.697 -4.774 444 HG12 ILE 61 1HG1 ILE 61 0.994 1.076 -4.047 445 HG13 ILE 61 2HG1 ILE 61 0.423 1.089 -5.712 446 HG21 ILE 61 1HG2 ILE 61 0.331 -0.280 -2.530 447 HG22 ILE 61 2HG2 ILE 61 -0.892 -1.529 -2.757 448 HG23 ILE 61 3HG2 ILE 61 0.789 -1.854 -3.180 449 HD11 ILE 61 1HD1 ILE 61 -0.538 2.801 -4.067 450 HD12 ILE 61 2HD1 ILE 61 -1.655 1.931 -5.120 451 HD13 ILE 61 3HD1 ILE 61 -1.477 1.450 -3.433 452 H ILE 62 H ILE 62 1.571 -3.588 -4.741 453 HA ILE 62 HA ILE 62 -0.613 -5.282 -5.743 454 HB ILE 62 HB ILE 62 1.223 -7.097 -5.063 455 HG12 ILE 62 1HG1 ILE 62 2.741 -5.212 -4.272 456 HG13 ILE 62 2HG1 ILE 62 3.458 -6.367 -5.389 457 HG21 ILE 62 1HG2 ILE 62 2.062 -6.091 -7.594 458 HG22 ILE 62 2HG2 ILE 62 1.029 -7.475 -7.239 459 HG23 ILE 62 3HG2 ILE 62 0.318 -5.874 -7.443 460 HD11 ILE 62 1HD1 ILE 62 3.334 -3.568 -5.615 461 HD12 ILE 62 2HD1 ILE 62 3.991 -4.729 -6.769 462 HD13 ILE 62 3HD1 ILE 62 2.302 -4.234 -6.880 463 H GLU 63 H GLU 63 0.786 -4.043 -2.897 464 HA GLU 63 HA GLU 63 -0.974 -5.740 -1.289 465 HB2 GLU 63 1HB GLU 63 1.335 -6.699 -1.227 466 HB3 GLU 63 2HB GLU 63 1.897 -5.187 -0.528 467 HG2 GLU 63 1HG GLU 63 0.086 -5.637 1.269 468 HG3 GLU 63 2HG GLU 63 0.162 -7.295 0.676 469 H ILE 64 H ILE 64 -1.691 -4.797 0.645 470 HA ILE 64 HA ILE 64 -0.884 -2.033 1.171 471 HB ILE 64 HB ILE 64 -3.692 -2.933 0.571 472 HG12 ILE 64 1HG1 ILE 64 -2.073 -0.562 -0.384 473 HG13 ILE 64 2HG1 ILE 64 -2.276 -2.065 -1.277 474 HG21 ILE 64 1HG2 ILE 64 -2.806 -0.983 2.536 475 HG22 ILE 64 2HG2 ILE 64 -3.878 -0.286 1.322 476 HG23 ILE 64 3HG2 ILE 64 -4.406 -1.676 2.270 477 HD11 ILE 64 1HD1 ILE 64 -4.129 0.187 -0.906 478 HD12 ILE 64 2HD1 ILE 64 -3.925 -0.912 -2.271 479 HD13 ILE 64 3HD1 ILE 64 -4.848 -1.422 -0.857 480 H ASN 65 H ASN 65 -0.407 -1.860 3.250 481 HA ASN 65 HA ASN 65 -0.284 -2.283 5.486 482 HB2 ASN 65 1HB ASN 65 -3.190 -2.312 4.842 483 HB3 ASN 65 2HB ASN 65 -2.710 -2.883 6.437 484 HD21 ASN 65 1HD2 ASN 65 -4.274 -0.597 5.929 485 HD22 ASN 65 2HD2 ASN 65 -3.391 0.785 6.475 486 H GLY 66 H GLY 66 0.067 -4.545 3.605 487 HA2 GLY 66 1HA GLY 66 0.737 -6.738 3.987 488 HA3 GLY 66 2HA GLY 66 0.039 -6.641 5.597 489 H GLU 67 H GLU 67 -1.680 -5.899 2.621 490 HA GLU 67 HA GLU 67 -3.260 -8.357 2.981 491 HB2 GLU 67 1HB GLU 67 -4.294 -5.592 2.329 492 HB3 GLU 67 2HB GLU 67 -5.265 -7.057 2.285 493 HG2 GLU 67 1HG GLU 67 -3.815 -6.249 4.773 494 HG3 GLU 67 2HG GLU 67 -5.382 -5.554 4.362 495 H SER 68 H SER 68 -4.382 -9.087 1.043 496 HA SER 68 HA SER 68 -2.700 -8.766 -1.293 497 HB2 SER 68 1HB SER 68 -4.178 -10.567 -2.244 498 HB3 SER 68 2HB SER 68 -3.350 -11.018 -0.754 499 HG SER 68 HG SER 68 -5.631 -11.553 -0.833 500 H THR 69 H THR 69 -3.104 -6.796 -2.201 501 HA THR 69 HA THR 69 -5.595 -5.563 -2.479 502 HB THR 69 HB THR 69 -4.562 -4.150 -4.189 503 HG1 THR 69 1HG THR 69 -2.237 -4.713 -4.615 504 HG21 THR 69 1HG2 THR 69 -4.020 -3.927 -1.705 505 HG22 THR 69 2HG2 THR 69 -2.909 -3.152 -2.834 506 HG23 THR 69 3HG2 THR 69 -2.477 -4.689 -2.087 507 H ARG 70 H ARG 70 -4.468 -8.349 -3.959 508 HA ARG 70 HA ARG 70 -5.605 -8.105 -6.541 509 HB2 ARG 70 1HB ARG 70 -3.888 -9.825 -5.668 510 HB3 ARG 70 2HB ARG 70 -5.287 -10.716 -5.084 511 HG2 ARG 70 1HG ARG 70 -5.039 -11.705 -7.110 512 HG3 ARG 70 2HG ARG 70 -6.096 -10.370 -7.577 513 HD2 ARG 70 1HD ARG 70 -4.042 -9.059 -8.148 514 HD3 ARG 70 2HD ARG 70 -3.100 -10.522 -7.865 515 HE ARG 70 HE ARG 70 -5.186 -11.021 -9.714 516 HH11 ARG 70 2HH1 ARG 70 -2.077 -9.481 -9.428 517 HH12 ARG 70 1HH1 ARG 70 -1.682 -9.673 -11.104 518 HH21 ARG 70 2HH2 ARG 70 -4.678 -11.280 -11.922 519 HH22 ARG 70 1HH2 ARG 70 -3.162 -10.695 -12.522 520 H ASP 71 H ASP 71 -6.920 -8.834 -3.425 521 HA ASP 71 HA ASP 71 -9.538 -9.342 -4.679 522 HB2 ASP 71 1HB ASP 71 -8.504 -11.339 -3.514 523 HB3 ASP 71 2HB ASP 71 -8.665 -10.442 -2.006 524 H MET 72 H MET 72 -8.947 -6.785 -4.299 525 HA MET 72 HA MET 72 -10.756 -6.020 -2.157 526 HB2 MET 72 1HB MET 72 -8.206 -4.474 -2.312 527 HB3 MET 72 2HB MET 72 -9.312 -4.672 -0.960 528 HG2 MET 72 1HG MET 72 -8.532 -7.106 -0.918 529 HG3 MET 72 2HG MET 72 -7.216 -6.563 -1.956 530 HE1 MET 72 1HE MET 72 -7.434 -3.382 -0.098 531 HE2 MET 72 2HE MET 72 -5.757 -3.679 0.360 532 HE3 MET 72 3HE MET 72 -6.297 -4.027 -1.283 533 H THR 73 H THR 73 -11.805 -4.076 -2.517 534 HA THR 73 HA THR 73 -11.556 -3.045 -5.240 535 HB THR 73 HB THR 73 -13.706 -1.876 -4.746 536 HG1 THR 73 1HG THR 73 -13.663 -1.705 -2.524 537 HG21 THR 73 1HG2 THR 73 -14.091 -4.759 -4.052 538 HG22 THR 73 2HG2 THR 73 -13.409 -4.324 -5.619 539 HG23 THR 73 3HG2 THR 73 -15.008 -3.740 -5.161 540 H HIS 74 H HIS 74 -11.659 -0.727 -5.628 541 HA HIS 74 HA HIS 74 -9.680 0.743 -4.483 542 HB2 HIS 74 1HB HIS 74 -11.137 1.286 -6.533 543 HB3 HIS 74 2HB HIS 74 -12.224 2.073 -5.393 544 HD1 HIS 74 1HD HIS 74 -11.425 4.130 -7.090 545 HD2 HIS 74 2HD HIS 74 -8.725 2.781 -4.235 546 HE1 HIS 74 1HE HIS 74 -9.735 5.975 -6.838 547 HE2 HIS 74 2HE HIS 74 -8.064 5.101 -5.169 548 H ALA 75 H ALA 75 -12.897 0.238 -3.251 549 HA ALA 75 HA ALA 75 -12.878 2.343 -1.336 550 HB1 ALA 75 1HB ALA 75 -14.504 -0.039 -0.742 551 HB2 ALA 75 2HB ALA 75 -14.962 1.663 -0.820 552 HB3 ALA 75 3HB ALA 75 -14.805 0.723 -2.304 553 H ARG 76 H ARG 76 -12.301 -1.163 -1.077 554 HA ARG 76 HA ARG 76 -11.821 -1.372 1.620 555 HB2 ARG 76 1HB ARG 76 -11.894 -3.322 0.185 556 HB3 ARG 76 2HB ARG 76 -10.435 -2.806 -0.650 557 HG2 ARG 76 1HG ARG 76 -10.151 -4.646 1.040 558 HG3 ARG 76 2HG ARG 76 -9.082 -3.254 1.230 559 HD2 ARG 76 1HD ARG 76 -10.130 -2.537 3.138 560 HD3 ARG 76 2HD ARG 76 -11.673 -3.265 2.692 561 HE ARG 76 HE ARG 76 -9.632 -5.203 3.230 562 HH11 ARG 76 2HH1 ARG 76 -12.041 -3.141 4.667 563 HH12 ARG 76 1HH1 ARG 76 -12.227 -4.125 6.081 564 HH21 ARG 76 2HH2 ARG 76 -9.868 -6.506 5.087 565 HH22 ARG 76 1HH2 ARG 76 -10.990 -6.038 6.319 566 H ALA 77 H ALA 77 -9.392 -0.700 -0.901 567 HA ALA 77 HA ALA 77 -7.174 -0.407 0.733 568 HB1 ALA 77 1HB ALA 77 -7.373 -0.392 -1.844 569 HB2 ALA 77 2HB ALA 77 -7.557 1.352 -1.658 570 HB3 ALA 77 3HB ALA 77 -6.095 0.554 -1.080 571 H ILE 78 H ILE 78 -9.439 2.116 -0.359 572 HA ILE 78 HA ILE 78 -8.235 4.262 0.974 573 HB ILE 78 HB ILE 78 -11.177 3.930 0.375 574 HG12 ILE 78 1HG1 ILE 78 -9.328 3.703 -1.509 575 HG13 ILE 78 2HG1 ILE 78 -10.810 4.608 -1.793 576 HG21 ILE 78 1HG2 ILE 78 -10.996 6.470 0.194 577 HG22 ILE 78 2HG2 ILE 78 -10.956 5.768 1.811 578 HG23 ILE 78 3HG2 ILE 78 -9.460 6.300 1.043 579 HD11 ILE 78 1HD1 ILE 78 -8.299 5.928 -0.828 580 HD12 ILE 78 2HD1 ILE 78 -8.640 5.675 -2.540 581 HD13 ILE 78 3HD1 ILE 78 -9.721 6.668 -1.563 582 H GLU 79 H GLU 79 -9.984 1.610 2.202 583 HA GLU 79 HA GLU 79 -10.704 2.995 4.671 584 HB2 GLU 79 1HB GLU 79 -12.484 1.644 4.243 585 HB3 GLU 79 2HB GLU 79 -11.520 0.479 3.347 586 HG2 GLU 79 1HG GLU 79 -11.010 -0.739 5.195 587 HG3 GLU 79 2HG GLU 79 -11.091 0.654 6.273 588 H LEU 80 H LEU 80 -8.503 0.565 3.439 589 HA LEU 80 HA LEU 80 -7.571 -0.345 5.967 590 HB2 LEU 80 1HB LEU 80 -6.345 -0.462 3.218 591 HB3 LEU 80 2HB LEU 80 -5.661 -1.253 4.637 592 HG LEU 80 HG LEU 80 -8.237 -1.899 3.220 593 HD11 LEU 80 1HD1 LEU 80 -6.111 -2.805 2.313 594 HD12 LEU 80 2HD1 LEU 80 -7.231 -4.047 2.871 595 HD13 LEU 80 3HD1 LEU 80 -5.839 -3.607 3.860 596 HD21 LEU 80 1HD2 LEU 80 -8.505 -3.660 4.966 597 HD22 LEU 80 2HD2 LEU 80 -8.742 -2.014 5.555 598 HD23 LEU 80 3HD2 LEU 80 -7.233 -2.864 5.893 599 H ILE 81 H ILE 81 -6.477 2.126 3.693 600 HA ILE 81 HA ILE 81 -4.041 2.774 4.881 601 HB ILE 81 HB ILE 81 -5.930 4.702 3.527 602 HG12 ILE 81 1HG1 ILE 81 -3.660 3.298 2.159 603 HG13 ILE 81 2HG1 ILE 81 -5.215 2.490 2.323 604 HG21 ILE 81 1HG2 ILE 81 -3.728 5.798 2.896 605 HG22 ILE 81 2HG2 ILE 81 -4.231 5.945 4.579 606 HG23 ILE 81 3HG2 ILE 81 -2.988 4.778 4.130 607 HD11 ILE 81 1HD1 ILE 81 -5.325 5.232 1.276 608 HD12 ILE 81 2HD1 ILE 81 -4.528 4.046 0.242 609 HD13 ILE 81 3HD1 ILE 81 -6.190 3.780 0.770 610 H LYS 82 H LYS 82 -7.311 3.679 5.744 611 HA LYS 82 HA LYS 82 -6.328 5.481 7.831 612 HB2 LYS 82 1HB LYS 82 -8.975 5.655 8.119 613 HB3 LYS 82 2HB LYS 82 -8.098 6.587 6.912 614 HG2 LYS 82 1HG LYS 82 -8.645 4.910 5.219 615 HG3 LYS 82 2HG LYS 82 -9.528 3.979 6.431 616 HD2 LYS 82 1HD LYS 82 -11.158 5.218 5.254 617 HD3 LYS 82 2HD LYS 82 -10.940 6.053 6.793 618 HE2 LYS 82 1HE LYS 82 -9.775 7.811 5.815 619 HE3 LYS 82 2HE LYS 82 -9.363 6.870 4.383 620 HZ1 LYS 82 1HZ LYS 82 -11.019 8.329 3.681 621 HZ2 LYS 82 2HZ LYS 82 -11.951 8.117 5.076 622 HZ3 LYS 82 3HZ LYS 82 -11.851 6.877 3.930 623 H SER 83 H SER 83 -7.247 2.269 7.420 624 HA SER 83 HA SER 83 -8.382 1.872 10.041 625 HB2 SER 83 1HB SER 83 -9.018 0.480 8.065 626 HB3 SER 83 2HB SER 83 -7.395 -0.208 8.076 627 HG SER 83 HG SER 83 -8.831 -1.539 9.215 628 H GLY 84 H GLY 84 -5.242 1.644 8.536 629 HA2 GLY 84 1HA GLY 84 -3.993 0.091 10.572 630 HA3 GLY 84 2HA GLY 84 -3.173 1.062 9.358 631 H GLY 85 H GLY 85 -4.192 3.585 9.968 632 HA2 GLY 85 1HA GLY 85 -4.443 4.793 12.213 633 HA3 GLY 85 2HA GLY 85 -2.903 4.030 12.581 634 H ARG 86 H ARG 86 -1.404 5.573 12.582 635 HA ARG 86 HA ARG 86 -1.566 7.772 10.680 636 HB2 ARG 86 1HB ARG 86 -0.161 7.263 13.232 637 HB3 ARG 86 2HB ARG 86 0.703 8.259 12.069 638 HG2 ARG 86 1HG ARG 86 -0.851 9.955 12.159 639 HG3 ARG 86 2HG ARG 86 -2.140 8.885 12.716 640 HD2 ARG 86 1HD ARG 86 0.246 9.310 14.452 641 HD3 ARG 86 2HD ARG 86 -0.979 10.574 14.359 642 HE ARG 86 HE ARG 86 -1.209 8.036 15.676 643 HH11 ARG 86 2HH1 ARG 86 -2.965 10.619 14.138 644 HH12 ARG 86 1HH1 ARG 86 -4.441 10.296 14.986 645 HH21 ARG 86 2HH2 ARG 86 -3.146 7.601 16.799 646 HH22 ARG 86 1HH2 ARG 86 -4.543 8.579 16.500 647 H ARG 87 H ARG 87 0.168 4.827 11.178 648 HA ARG 87 HA ARG 87 2.062 5.544 9.042 649 HB2 ARG 87 1HB ARG 87 2.263 3.296 11.054 650 HB3 ARG 87 2HB ARG 87 3.484 3.749 9.873 651 HG2 ARG 87 1HG ARG 87 4.120 5.618 11.040 652 HG3 ARG 87 2HG ARG 87 2.556 5.780 11.841 653 HD2 ARG 87 1HD ARG 87 3.891 5.026 13.564 654 HD3 ARG 87 2HD ARG 87 3.199 3.521 12.960 655 HE ARG 87 HE ARG 87 5.502 3.745 11.561 656 HH11 ARG 87 2HH1 ARG 87 4.741 3.891 14.955 657 HH12 ARG 87 1HH1 ARG 87 6.274 3.260 15.460 658 HH21 ARG 87 2HH2 ARG 87 7.524 2.913 12.212 659 HH22 ARG 87 1HH2 ARG 87 7.856 2.705 13.898 660 H VAL 88 H VAL 88 1.966 4.526 7.138 661 HA VAL 88 HA VAL 88 0.298 2.104 6.937 662 HB VAL 88 HB VAL 88 -0.877 4.034 5.967 663 HG11 VAL 88 1HG1 VAL 88 1.456 5.051 5.273 664 HG12 VAL 88 2HG1 VAL 88 1.105 4.219 3.757 665 HG13 VAL 88 3HG1 VAL 88 -0.014 5.433 4.377 666 HG21 VAL 88 1HG2 VAL 88 0.100 1.928 4.051 667 HG22 VAL 88 2HG2 VAL 88 -1.387 1.926 4.999 668 HG23 VAL 88 3HG2 VAL 88 -1.194 3.062 3.664 669 H ARG 89 H ARG 89 1.023 0.471 5.625 670 HA ARG 89 HA ARG 89 3.566 0.894 4.213 671 HB2 ARG 89 1HB ARG 89 4.202 -0.150 6.271 672 HB3 ARG 89 2HB ARG 89 2.905 -1.330 6.141 673 HG2 ARG 89 1HG ARG 89 4.030 -2.206 4.081 674 HG3 ARG 89 2HG ARG 89 5.390 -1.148 4.461 675 HD2 ARG 89 1HD ARG 89 5.952 -2.337 6.366 676 HD3 ARG 89 2HD ARG 89 4.337 -3.024 6.534 677 HE ARG 89 HE ARG 89 5.547 -3.943 4.151 678 HH11 ARG 89 2HH1 ARG 89 5.679 -4.328 7.609 679 HH12 ARG 89 1HH1 ARG 89 6.271 -5.955 7.536 680 HH21 ARG 89 2HH2 ARG 89 6.326 -6.084 4.042 681 HH22 ARG 89 1HH2 ARG 89 6.640 -6.952 5.506 682 H LEU 90 H LEU 90 3.387 0.327 2.156 683 HA LEU 90 HA LEU 90 1.680 -1.951 1.443 684 HB2 LEU 90 1HB LEU 90 1.261 -0.422 -0.702 685 HB3 LEU 90 2HB LEU 90 0.200 -0.419 0.706 686 HG LEU 90 HG LEU 90 2.428 1.533 0.708 687 HD11 LEU 90 1HD1 LEU 90 0.348 1.433 -1.374 688 HD12 LEU 90 2HD1 LEU 90 1.931 2.209 -1.381 689 HD13 LEU 90 3HD1 LEU 90 0.569 2.992 -0.579 690 HD21 LEU 90 1HD2 LEU 90 -0.069 2.679 1.289 691 HD22 LEU 90 2HD2 LEU 90 1.207 2.235 2.423 692 HD23 LEU 90 3HD2 LEU 90 -0.070 1.081 2.037 693 H LEU 91 H LEU 91 2.287 -3.059 -0.452 694 HA LEU 91 HA LEU 91 5.110 -2.786 -1.091 695 HB2 LEU 91 1HB LEU 91 3.879 -4.977 -0.582 696 HB3 LEU 91 2HB LEU 91 3.233 -4.839 -2.216 697 HG LEU 91 HG LEU 91 6.157 -5.047 -1.496 698 HD11 LEU 91 1HD1 LEU 91 5.870 -7.263 -2.728 699 HD12 LEU 91 2HD1 LEU 91 4.140 -7.050 -2.458 700 HD13 LEU 91 3HD1 LEU 91 5.241 -7.159 -1.084 701 HD21 LEU 91 1HD2 LEU 91 6.452 -5.362 -3.928 702 HD22 LEU 91 2HD2 LEU 91 5.848 -3.757 -3.513 703 HD23 LEU 91 3HD2 LEU 91 4.747 -4.974 -4.161 704 H LEU 92 H LEU 92 5.758 -1.580 -2.735 705 HA LEU 92 HA LEU 92 4.047 -1.416 -5.126 706 HB2 LEU 92 1HB LEU 92 4.115 0.660 -3.642 707 HB3 LEU 92 2HB LEU 92 5.787 0.838 -4.171 708 HG LEU 92 HG LEU 92 4.706 0.747 -6.564 709 HD11 LEU 92 1HD1 LEU 92 2.445 2.142 -5.256 710 HD12 LEU 92 2HD1 LEU 92 2.426 0.379 -5.247 711 HD13 LEU 92 3HD1 LEU 92 2.505 1.251 -6.777 712 HD21 LEU 92 1HD2 LEU 92 4.089 3.354 -5.861 713 HD22 LEU 92 2HD2 LEU 92 5.655 2.755 -6.409 714 HD23 LEU 92 3HD2 LEU 92 5.308 2.867 -4.683 715 H LYS 93 H LYS 93 5.091 -1.340 -7.117 716 HA LYS 93 HA LYS 93 7.974 -1.950 -7.041 717 HB2 LYS 93 1HB LYS 93 7.605 -3.302 -9.085 718 HB3 LYS 93 2HB LYS 93 6.730 -3.921 -7.690 719 HG2 LYS 93 1HG LYS 93 4.803 -2.407 -8.697 720 HG3 LYS 93 2HG LYS 93 5.707 -2.696 -10.186 721 HD2 LYS 93 1HD LYS 93 5.136 -5.027 -8.433 722 HD3 LYS 93 2HD LYS 93 3.796 -4.341 -9.355 723 HE2 LYS 93 1HE LYS 93 5.362 -4.490 -11.376 724 HE3 LYS 93 2HE LYS 93 6.354 -5.543 -10.369 725 HZ1 LYS 93 1HZ LYS 93 3.744 -6.454 -10.156 726 HZ2 LYS 93 2HZ LYS 93 5.036 -7.206 -10.946 727 HZ3 LYS 93 3HZ LYS 93 4.009 -6.171 -11.803 728 H ARG 94 H ARG 94 9.280 -0.665 -8.181 729 HA ARG 94 HA ARG 94 8.039 1.271 -10.018 730 HB2 ARG 94 1HB ARG 94 9.065 2.491 -8.293 731 HB3 ARG 94 2HB ARG 94 10.461 1.424 -8.247 732 HG2 ARG 94 1HG ARG 94 11.113 3.511 -9.215 733 HG3 ARG 94 2HG ARG 94 11.128 2.275 -10.475 734 HD2 ARG 94 1HD ARG 94 10.022 3.926 -11.591 735 HD3 ARG 94 2HD ARG 94 8.648 3.126 -10.829 736 HE ARG 94 HE ARG 94 8.325 4.985 -9.525 737 HH11 ARG 94 2HH1 ARG 94 11.453 5.165 -11.043 738 HH12 ARG 94 1HH1 ARG 94 11.742 6.801 -10.550 739 HH21 ARG 94 2HH2 ARG 94 8.694 7.138 -8.870 740 HH22 ARG 94 1HH2 ARG 94 10.173 7.922 -9.314 741 H GLY 95 H GLY 95 8.605 1.289 -12.111 742 HA2 GLY 95 1HA GLY 95 10.466 -0.749 -13.036 743 HA3 GLY 95 2HA GLY 95 9.391 0.216 -14.037 744 H THR 96 H THR 96 12.333 0.433 -12.066 745 HA THR 96 HA THR 96 13.214 2.695 -13.722 746 HB THR 96 HB THR 96 13.255 3.124 -11.317 747 HG1 THR 96 1HG THR 96 15.607 3.025 -12.826 748 HG21 THR 96 1HG2 THR 96 13.574 0.779 -10.589 749 HG22 THR 96 2HG2 THR 96 14.708 1.890 -9.820 750 HG23 THR 96 3HG2 THR 96 15.244 0.859 -11.147 751 H GLY 97 H GLY 97 14.071 -0.551 -12.690 752 HA2 GLY 97 1HA GLY 97 16.490 -0.440 -14.364 753 HA3 GLY 97 2HA GLY 97 16.173 -1.633 -13.113 754 H SER 98 H SER 98 17.003 -2.286 -15.715 755 HA SER 98 HA SER 98 15.124 -4.273 -16.388 756 HB2 SER 98 1HB SER 98 13.940 -2.234 -17.291 757 HB3 SER 98 2HB SER 98 15.275 -2.043 -18.426 758 HG SER 98 HG SER 98 14.096 -4.554 -18.300 759 H GLY 99 H GLY 99 15.912 -5.727 -17.941 760 HA2 GLY 99 1HA GLY 99 18.736 -5.805 -18.188 761 HA3 GLY 99 2HA GLY 99 17.601 -6.894 -18.974 762 HA PRO 100 HA PRO 100 18.372 -5.060 -22.874 763 HB2 PRO 100 1HB PRO 100 15.911 -4.979 -24.017 764 HB3 PRO 100 2HB PRO 100 16.804 -6.483 -23.766 765 HG2 PRO 100 1HG PRO 100 14.600 -5.293 -22.127 766 HG3 PRO 100 2HG PRO 100 14.843 -6.979 -22.618 767 HD2 PRO 100 1HD PRO 100 15.484 -6.074 -20.148 768 HD3 PRO 100 2HD PRO 100 16.388 -7.373 -20.953 769 H SER 101 H SER 101 18.740 -3.049 -23.578 770 HA SER 101 HA SER 101 17.104 -0.874 -22.478 771 HB2 SER 101 1HB SER 101 19.849 -0.767 -23.751 772 HB3 SER 101 2HB SER 101 18.998 0.592 -23.017 773 HG SER 101 HG SER 101 19.347 -1.695 -21.465 774 H SER 102 H SER 102 16.290 0.769 -23.795 775 HA SER 102 HA SER 102 15.405 1.721 -25.666 776 HB2 SER 102 1HB SER 102 17.816 1.496 -26.476 777 HB3 SER 102 2HB SER 102 17.290 0.039 -27.319 778 HG SER 102 HG SER 102 15.852 2.422 -27.666 779 H GLY 103 H GLY 103 14.089 -0.432 -24.558 780 HA2 GLY 103 1HA GLY 103 12.498 -1.293 -26.787 781 HA3 GLY 103 2HA GLY 103 13.433 -2.605 -26.085 Start of MODEL 3 1 H1 GLY 1 H GLY 1 12.234 -24.965 -18.422 2 HA2 GLY 1 1HA GLY 1 11.794 -25.246 -15.884 3 HA3 GLY 1 2HA GLY 1 13.386 -24.678 -16.367 4 H SER 2 H SER 2 10.254 -23.732 -15.116 5 HA SER 2 HA SER 2 11.482 -21.241 -14.135 6 HB2 SER 2 1HB SER 2 8.604 -21.533 -15.025 7 HB3 SER 2 2HB SER 2 9.396 -20.054 -14.480 8 HG SER 2 HG SER 2 9.992 -21.548 -16.819 9 H SER 3 H SER 3 11.905 -22.107 -12.111 10 HA SER 3 HA SER 3 9.663 -23.184 -10.575 11 HB2 SER 3 1HB SER 3 12.592 -22.982 -9.833 12 HB3 SER 3 2HB SER 3 11.347 -23.839 -8.924 13 HG SER 3 HG SER 3 11.911 -25.465 -10.130 14 H GLY 4 H GLY 4 9.431 -20.482 -11.183 15 HA2 GLY 4 1HA GLY 4 9.209 -19.382 -8.532 16 HA3 GLY 4 2HA GLY 4 10.424 -18.575 -9.513 17 H SER 5 H SER 5 7.056 -19.710 -9.821 18 HA SER 5 HA SER 5 6.195 -18.155 -11.885 19 HB2 SER 5 1HB SER 5 3.938 -18.155 -10.730 20 HB3 SER 5 2HB SER 5 4.688 -19.740 -10.920 21 HG SER 5 HG SER 5 5.531 -19.302 -8.699 22 H SER 6 H SER 6 6.419 -17.184 -8.481 23 HA SER 6 HA SER 6 6.274 -14.379 -9.364 24 HB2 SER 6 1HB SER 6 4.897 -15.678 -7.016 25 HB3 SER 6 2HB SER 6 5.172 -13.937 -7.094 26 HG SER 6 HG SER 6 3.895 -15.349 -9.183 27 H GLY 7 H GLY 7 8.593 -14.428 -9.360 28 HA2 GLY 7 1HA GLY 7 9.674 -13.988 -6.668 29 HA3 GLY 7 2HA GLY 7 10.481 -15.151 -7.709 30 H GLN 8 H GLN 8 10.121 -13.713 -10.156 31 HA GLN 8 HA GLN 8 12.132 -11.624 -9.728 32 HB2 GLN 8 1HB GLN 8 11.306 -13.103 -12.231 33 HB3 GLN 8 2HB GLN 8 12.517 -11.829 -12.183 34 HG2 GLN 8 1HG GLN 8 13.843 -13.681 -12.089 35 HG3 GLN 8 2HG GLN 8 13.619 -13.353 -10.371 36 HE21 GLN 8 1HE2 GLN 8 13.734 -15.338 -9.519 37 HE22 GLN 8 2HE2 GLN 8 12.695 -16.654 -9.934 38 H ASP 9 H ASP 9 10.614 -10.043 -9.006 39 HA ASP 9 HA ASP 9 8.774 -9.047 -11.070 40 HB2 ASP 9 1HB ASP 9 8.743 -7.944 -8.303 41 HB3 ASP 9 2HB ASP 9 7.407 -8.232 -9.414 42 H PHE 10 H PHE 10 8.457 -6.469 -10.456 43 HA PHE 10 HA PHE 10 10.913 -5.299 -11.386 44 HB2 PHE 10 1HB PHE 10 8.202 -4.136 -10.740 45 HB3 PHE 10 2HB PHE 10 9.556 -3.159 -11.299 46 HD1 PHE 10 1HD PHE 10 7.729 -6.269 -12.257 47 HD2 PHE 10 2HD PHE 10 9.688 -2.716 -13.543 48 HE1 PHE 10 1HE PHE 10 7.132 -6.787 -14.587 49 HE2 PHE 10 2HE PHE 10 9.093 -3.228 -15.875 50 HZ PHE 10 HZ PHE 10 7.813 -5.265 -16.400 51 H ASP 11 H ASP 11 11.346 -6.402 -8.900 52 HA ASP 11 HA ASP 11 12.472 -5.876 -6.984 53 HB2 ASP 11 1HB ASP 11 13.088 -3.778 -8.476 54 HB3 ASP 11 2HB ASP 11 12.030 -2.943 -7.342 55 H TYR 12 H TYR 12 10.010 -6.686 -6.617 56 HA TYR 12 HA TYR 12 8.061 -5.095 -5.539 57 HB2 TYR 12 1HB TYR 12 8.889 -7.915 -5.128 58 HB3 TYR 12 2HB TYR 12 7.794 -7.231 -3.931 59 HD1 TYR 12 1HD TYR 12 7.819 -6.320 -7.511 60 HD2 TYR 12 2HD TYR 12 5.876 -8.542 -4.446 61 HE1 TYR 12 1HE TYR 12 5.920 -6.730 -9.019 62 HE2 TYR 12 2HE TYR 12 3.973 -8.959 -5.947 63 HH TYR 12 HH TYR 12 3.132 -7.386 -8.330 64 H PHE 13 H PHE 13 8.927 -3.363 -4.386 65 HA PHE 13 HA PHE 13 10.200 -4.023 -1.818 66 HB2 PHE 13 1HB PHE 13 11.121 -1.800 -1.806 67 HB3 PHE 13 2HB PHE 13 11.452 -2.518 -3.379 68 HD1 PHE 13 2HD PHE 13 9.072 -0.268 -1.627 69 HD2 PHE 13 1HD PHE 13 10.855 -1.404 -5.321 70 HE1 PHE 13 2HE PHE 13 8.017 1.665 -2.726 71 HE2 PHE 13 1HE PHE 13 9.804 0.528 -6.426 72 HZ PHE 13 HZ PHE 13 8.382 2.064 -5.129 73 H THR 14 H THR 14 9.549 -2.849 0.074 74 HA THR 14 HA THR 14 6.681 -2.278 0.060 75 HB THR 14 HB THR 14 6.850 -2.386 2.527 76 HG1 THR 14 1HG THR 14 9.517 -3.286 2.180 77 HG21 THR 14 1HG2 THR 14 6.270 -4.430 1.490 78 HG22 THR 14 2HG2 THR 14 7.545 -4.831 2.640 79 HG23 THR 14 3HG2 THR 14 7.917 -4.698 0.922 80 H VAL 15 H VAL 15 5.885 -0.472 1.407 81 HA VAL 15 HA VAL 15 7.711 1.841 1.287 82 HB VAL 15 HB VAL 15 4.713 1.897 0.919 83 HG11 VAL 15 1HG1 VAL 15 4.899 4.069 1.342 84 HG12 VAL 15 2HG1 VAL 15 6.651 3.931 1.503 85 HG13 VAL 15 3HG1 VAL 15 5.929 4.220 -0.081 86 HG21 VAL 15 1HG2 VAL 15 6.963 1.999 -1.077 87 HG22 VAL 15 2HG2 VAL 15 5.621 0.857 -1.011 88 HG23 VAL 15 3HG2 VAL 15 5.325 2.541 -1.442 89 H ASP 16 H ASP 16 7.686 3.299 2.978 90 HA ASP 16 HA ASP 16 5.949 2.688 5.264 91 HB2 ASP 16 1HB ASP 16 8.131 1.606 5.661 92 HB3 ASP 16 2HB ASP 16 8.932 3.160 5.451 93 H MET 17 H MET 17 4.808 4.459 5.655 94 HA MET 17 HA MET 17 6.173 7.021 5.875 95 HB2 MET 17 1HB MET 17 3.612 7.103 4.373 96 HB3 MET 17 2HB MET 17 5.021 8.148 4.252 97 HG2 MET 17 1HG MET 17 6.217 6.372 3.054 98 HG3 MET 17 2HG MET 17 4.777 5.361 3.145 99 HE1 MET 17 1HE MET 17 2.553 8.214 2.363 100 HE2 MET 17 2HE MET 17 2.199 7.112 1.032 101 HE3 MET 17 3HE MET 17 2.499 6.474 2.650 102 H GLU 18 H GLU 18 4.627 8.725 6.740 103 HA GLU 18 HA GLU 18 2.746 7.460 8.623 104 HB2 GLU 18 1HB GLU 18 4.825 9.541 8.996 105 HB3 GLU 18 2HB GLU 18 3.315 9.776 9.865 106 HG2 GLU 18 1HG GLU 18 3.627 7.940 11.192 107 HG3 GLU 18 2HG GLU 18 4.649 7.123 10.011 108 H LYS 19 H LYS 19 1.099 9.093 9.481 109 HA LYS 19 HA LYS 19 -0.236 10.250 7.192 110 HB2 LYS 19 1HB LYS 19 -1.244 8.941 9.252 111 HB3 LYS 19 2HB LYS 19 -1.267 10.540 9.983 112 HG2 LYS 19 1HG LYS 19 -2.870 11.325 8.553 113 HG3 LYS 19 2HG LYS 19 -2.432 10.198 7.267 114 HD2 LYS 19 1HD LYS 19 -3.608 9.204 9.838 115 HD3 LYS 19 2HD LYS 19 -4.647 9.834 8.558 116 HE2 LYS 19 1HE LYS 19 -3.481 8.215 7.002 117 HE3 LYS 19 2HE LYS 19 -2.769 7.485 8.440 118 HZ1 LYS 19 1HZ LYS 19 -5.558 7.471 7.535 119 HZ2 LYS 19 2HZ LYS 19 -5.253 7.414 9.197 120 HZ3 LYS 19 3HZ LYS 19 -4.630 6.213 8.181 121 H GLY 20 H GLY 20 -0.801 12.414 6.927 122 HA2 GLY 20 1HA GLY 20 0.882 14.283 8.461 123 HA3 GLY 20 2HA GLY 20 0.287 14.561 6.831 124 H ALA 21 H ALA 21 -0.882 16.382 7.039 125 HA ALA 21 HA ALA 21 -2.571 16.869 9.312 126 HB1 ALA 21 1HB ALA 21 -1.377 18.447 7.364 127 HB2 ALA 21 2HB ALA 21 -3.107 18.579 7.045 128 HB3 ALA 21 3HB ALA 21 -2.471 18.986 8.639 129 H LYS 22 H LYS 22 -3.133 16.220 5.859 130 HA LYS 22 HA LYS 22 -5.921 15.542 6.525 131 HB2 LYS 22 1HB LYS 22 -5.247 17.438 4.810 132 HB3 LYS 22 2HB LYS 22 -5.052 16.074 3.716 133 HG2 LYS 22 1HG LYS 22 -7.238 16.873 3.385 134 HG3 LYS 22 2HG LYS 22 -7.402 15.397 4.338 135 HD2 LYS 22 1HD LYS 22 -8.833 16.865 5.424 136 HD3 LYS 22 2HD LYS 22 -7.352 16.998 6.375 137 HE2 LYS 22 1HE LYS 22 -7.920 19.213 6.077 138 HE3 LYS 22 2HE LYS 22 -6.802 18.947 4.741 139 HZ1 LYS 22 1HZ LYS 22 -8.560 20.003 3.727 140 HZ2 LYS 22 2HZ LYS 22 -9.731 19.232 4.674 141 HZ3 LYS 22 3HZ LYS 22 -8.942 18.379 3.444 142 H GLY 23 H GLY 23 -3.563 13.793 6.747 143 HA2 GLY 23 1HA GLY 23 -3.945 11.375 6.467 144 HA3 GLY 23 2HA GLY 23 -4.405 11.727 4.808 145 H PHE 24 H PHE 24 -2.678 9.899 4.728 146 HA PHE 24 HA PHE 24 0.033 10.460 5.116 147 HB2 PHE 24 1HB PHE 24 -1.396 8.561 3.263 148 HB3 PHE 24 2HB PHE 24 0.361 8.651 3.329 149 HD1 PHE 24 1HD PHE 24 1.546 8.057 5.420 150 HD2 PHE 24 2HD PHE 24 -2.641 7.459 4.945 151 HE1 PHE 24 1HE PHE 24 1.554 6.509 7.332 152 HE2 PHE 24 2HE PHE 24 -2.640 5.911 6.857 153 HZ PHE 24 HZ PHE 24 -0.541 5.435 8.054 154 H GLY 25 H GLY 25 -2.141 11.708 2.828 155 HA2 GLY 25 1HA GLY 25 -1.780 13.366 1.253 156 HA3 GLY 25 2HA GLY 25 -0.059 13.270 1.598 157 H PHE 26 H PHE 26 -2.225 10.676 0.546 158 HA PHE 26 HA PHE 26 -1.130 10.715 -2.134 159 HB2 PHE 26 1HB PHE 26 0.058 8.734 -2.087 160 HB3 PHE 26 2HB PHE 26 0.410 9.364 -0.481 161 HD1 PHE 26 2HD PHE 26 -2.123 7.230 -2.200 162 HD2 PHE 26 1HD PHE 26 0.193 7.938 1.301 163 HE1 PHE 26 2HE PHE 26 -3.006 5.162 -1.202 164 HE2 PHE 26 1HE PHE 26 -0.685 5.870 2.304 165 HZ PHE 26 HZ PHE 26 -2.288 4.480 1.053 166 H SER 27 H SER 27 -2.503 9.850 -3.603 167 HA SER 27 HA SER 27 -4.953 8.608 -2.544 168 HB2 SER 27 1HB SER 27 -5.206 10.821 -3.705 169 HB3 SER 27 2HB SER 27 -4.629 10.051 -5.183 170 HG SER 27 HG SER 27 -6.983 10.156 -4.870 171 H ILE 28 H ILE 28 -5.984 6.976 -3.883 172 HA ILE 28 HA ILE 28 -4.060 5.499 -5.559 173 HB ILE 28 HB ILE 28 -5.671 3.512 -4.714 174 HG12 ILE 28 1HG1 ILE 28 -5.321 5.185 -2.234 175 HG13 ILE 28 2HG1 ILE 28 -6.795 5.256 -3.193 176 HG21 ILE 28 1HG2 ILE 28 -3.129 3.806 -4.665 177 HG22 ILE 28 2HG2 ILE 28 -3.358 4.380 -3.014 178 HG23 ILE 28 3HG2 ILE 28 -3.855 2.747 -3.456 179 HD11 ILE 28 1HD1 ILE 28 -5.692 2.972 -1.610 180 HD12 ILE 28 2HD1 ILE 28 -7.283 3.730 -1.517 181 HD13 ILE 28 3HD1 ILE 28 -6.870 2.713 -2.897 182 H ARG 29 H ARG 29 -5.221 3.837 -6.972 183 HA ARG 29 HA ARG 29 -7.901 4.605 -7.784 184 HB2 ARG 29 1HB ARG 29 -7.381 5.190 -10.013 185 HB3 ARG 29 2HB ARG 29 -6.243 6.089 -9.017 186 HG2 ARG 29 1HG ARG 29 -4.445 4.853 -9.707 187 HG3 ARG 29 2HG ARG 29 -5.425 3.434 -10.078 188 HD2 ARG 29 1HD ARG 29 -6.272 4.456 -12.068 189 HD3 ARG 29 2HD ARG 29 -5.535 6.001 -11.649 190 HE ARG 29 HE ARG 29 -3.677 3.810 -11.950 191 HH11 ARG 29 2HH1 ARG 29 -5.339 6.442 -13.509 192 HH12 ARG 29 1HH1 ARG 29 -4.188 6.577 -14.797 193 HH21 ARG 29 2HH2 ARG 29 -2.155 3.978 -13.640 194 HH22 ARG 29 1HH2 ARG 29 -2.378 5.175 -14.871 195 H GLY 30 H GLY 30 -8.724 3.151 -9.545 196 HA2 GLY 30 1HA GLY 30 -8.950 1.076 -10.547 197 HA3 GLY 30 2HA GLY 30 -7.323 0.681 -10.013 198 H GLY 31 H GLY 31 -8.443 -1.441 -9.658 199 HA2 GLY 31 1HA GLY 31 -8.523 -2.573 -7.400 200 HA3 GLY 31 2HA GLY 31 -9.837 -1.458 -7.054 201 H ARG 32 H ARG 32 -10.279 -4.119 -6.767 202 HA ARG 32 HA ARG 32 -11.113 -5.663 -8.854 203 HB2 ARG 32 1HB ARG 32 -12.104 -5.334 -6.056 204 HB3 ARG 32 2HB ARG 32 -13.029 -6.339 -7.163 205 HG2 ARG 32 1HG ARG 32 -10.090 -6.736 -6.693 206 HG3 ARG 32 2HG ARG 32 -11.332 -7.517 -5.711 207 HD2 ARG 32 1HD ARG 32 -11.169 -7.738 -8.712 208 HD3 ARG 32 2HD ARG 32 -10.456 -8.906 -7.600 209 HE ARG 32 HE ARG 32 -13.266 -8.413 -7.178 210 HH11 ARG 32 2HH1 ARG 32 -10.886 -10.322 -8.854 211 HH12 ARG 32 1HH1 ARG 32 -11.958 -11.656 -9.128 212 HH21 ARG 32 2HH2 ARG 32 -14.687 -10.162 -7.531 213 HH22 ARG 32 1HH2 ARG 32 -14.120 -11.563 -8.376 214 H GLU 33 H GLU 33 -12.744 -2.874 -7.484 215 HA GLU 33 HA GLU 33 -15.262 -3.162 -8.631 216 HB2 GLU 33 1HB GLU 33 -14.728 -1.450 -6.956 217 HB3 GLU 33 2HB GLU 33 -13.720 -0.611 -8.127 218 HG2 GLU 33 1HG GLU 33 -15.932 0.424 -7.829 219 HG3 GLU 33 2HG GLU 33 -15.627 -0.094 -9.486 220 H TYR 34 H TYR 34 -12.291 -1.821 -9.984 221 HA TYR 34 HA TYR 34 -13.653 -1.455 -12.561 222 HB2 TYR 34 1HB TYR 34 -10.878 -0.486 -11.920 223 HB3 TYR 34 2HB TYR 34 -11.988 0.101 -13.153 224 HD1 TYR 34 1HD TYR 34 -13.998 1.428 -12.454 225 HD2 TYR 34 2HD TYR 34 -10.889 0.418 -9.731 226 HE1 TYR 34 1HE TYR 34 -14.778 3.187 -10.921 227 HE2 TYR 34 2HE TYR 34 -11.660 2.172 -8.190 228 HH TYR 34 HH TYR 34 -13.809 4.591 -9.087 229 H LYS 35 H LYS 35 -12.504 -3.975 -11.248 230 HA LYS 35 HA LYS 35 -11.314 -5.830 -11.837 231 HB2 LYS 35 1HB LYS 35 -12.030 -4.807 -14.591 232 HB3 LYS 35 2HB LYS 35 -11.446 -6.429 -14.241 233 HG2 LYS 35 1HG LYS 35 -13.964 -5.264 -13.076 234 HG3 LYS 35 2HG LYS 35 -13.911 -6.252 -14.537 235 HD2 LYS 35 1HD LYS 35 -12.754 -8.017 -13.131 236 HD3 LYS 35 2HD LYS 35 -13.200 -7.051 -11.723 237 HE2 LYS 35 1HE LYS 35 -15.587 -7.170 -12.605 238 HE3 LYS 35 2HE LYS 35 -15.004 -8.425 -13.697 239 HZ1 LYS 35 1HZ LYS 35 -15.139 -9.900 -12.071 240 HZ2 LYS 35 2HZ LYS 35 -15.813 -8.722 -11.062 241 HZ3 LYS 35 3HZ LYS 35 -14.140 -8.973 -11.068 242 H MET 36 H MET 36 -9.619 -3.815 -11.168 243 HA MET 36 HA MET 36 -7.302 -4.460 -12.790 244 HB2 MET 36 1HB MET 36 -6.633 -2.120 -13.092 245 HB3 MET 36 2HB MET 36 -8.161 -2.457 -13.896 246 HG2 MET 36 1HG MET 36 -9.212 -1.559 -11.699 247 HG3 MET 36 2HG MET 36 -7.626 -0.831 -11.456 248 HE1 MET 36 1HE MET 36 -7.376 2.039 -13.682 249 HE2 MET 36 2HE MET 36 -7.904 1.958 -12.001 250 HE3 MET 36 3HE MET 36 -6.628 0.884 -12.578 251 H ASP 37 H ASP 37 -5.284 -3.437 -11.788 252 HA ASP 37 HA ASP 37 -5.295 -4.072 -8.987 253 HB2 ASP 37 1HB ASP 37 -2.942 -2.805 -10.330 254 HB3 ASP 37 2HB ASP 37 -2.984 -4.083 -9.119 255 H LEU 38 H LEU 38 -4.044 -2.567 -7.462 256 HA LEU 38 HA LEU 38 -5.326 0.053 -7.606 257 HB2 LEU 38 1HB LEU 38 -3.900 -1.372 -5.368 258 HB3 LEU 38 2HB LEU 38 -4.576 0.250 -5.237 259 HG LEU 38 HG LEU 38 -6.390 -1.958 -6.064 260 HD11 LEU 38 1HD1 LEU 38 -6.223 -1.592 -3.171 261 HD12 LEU 38 2HD1 LEU 38 -4.806 -2.369 -3.877 262 HD13 LEU 38 3HD1 LEU 38 -6.407 -3.066 -4.123 263 HD21 LEU 38 1HD2 LEU 38 -7.076 0.437 -5.925 264 HD22 LEU 38 2HD2 LEU 38 -6.772 0.370 -4.188 265 HD23 LEU 38 3HD2 LEU 38 -8.021 -0.648 -4.906 266 H TYR 39 H TYR 39 -4.250 1.795 -8.234 267 HA TYR 39 HA TYR 39 -1.314 1.808 -7.970 268 HB2 TYR 39 1HB TYR 39 -2.722 3.333 -10.136 269 HB3 TYR 39 2HB TYR 39 -1.054 2.778 -10.076 270 HD1 TYR 39 1HD TYR 39 -4.556 1.637 -10.495 271 HD2 TYR 39 2HD TYR 39 -0.437 0.693 -10.992 272 HE1 TYR 39 1HE TYR 39 -5.175 -0.343 -11.817 273 HE2 TYR 39 2HE TYR 39 -1.045 -1.289 -12.316 274 HH TYR 39 HH TYR 39 -2.801 -2.225 -13.530 275 H VAL 40 H VAL 40 -0.411 4.085 -8.062 276 HA VAL 40 HA VAL 40 -1.785 5.671 -6.080 277 HB VAL 40 HB VAL 40 0.798 6.284 -7.520 278 HG11 VAL 40 1HG1 VAL 40 -0.097 8.256 -6.510 279 HG12 VAL 40 2HG1 VAL 40 -0.452 7.392 -5.012 280 HG13 VAL 40 3HG1 VAL 40 1.221 7.678 -5.491 281 HG21 VAL 40 1HG2 VAL 40 0.377 4.124 -5.928 282 HG22 VAL 40 2HG2 VAL 40 1.931 4.936 -6.121 283 HG23 VAL 40 3HG2 VAL 40 0.896 5.327 -4.747 284 H LEU 41 H LEU 41 -3.497 6.784 -6.835 285 HA LEU 41 HA LEU 41 -3.862 7.801 -9.392 286 HB2 LEU 41 1HB LEU 41 -5.575 7.551 -7.561 287 HB3 LEU 41 2HB LEU 41 -4.947 9.049 -6.877 288 HG LEU 41 HG LEU 41 -6.952 9.530 -8.100 289 HD11 LEU 41 1HD1 LEU 41 -4.646 10.411 -9.821 290 HD12 LEU 41 2HD1 LEU 41 -4.998 11.100 -8.236 291 HD13 LEU 41 3HD1 LEU 41 -6.174 11.246 -9.542 292 HD21 LEU 41 1HD2 LEU 41 -7.438 8.021 -9.697 293 HD22 LEU 41 2HD2 LEU 41 -5.743 7.716 -10.075 294 HD23 LEU 41 3HD2 LEU 41 -6.556 9.131 -10.745 295 H ARG 42 H ARG 42 -3.066 9.743 -6.503 296 HA ARG 42 HA ARG 42 -1.142 11.287 -8.016 297 HB2 ARG 42 1HB ARG 42 -2.871 12.668 -8.666 298 HB3 ARG 42 2HB ARG 42 -3.810 12.354 -7.212 299 HG2 ARG 42 1HG ARG 42 -1.245 13.844 -6.971 300 HG3 ARG 42 2HG ARG 42 -2.666 14.674 -7.606 301 HD2 ARG 42 1HD ARG 42 -2.819 13.095 -5.066 302 HD3 ARG 42 2HD ARG 42 -2.199 14.746 -5.064 303 HE ARG 42 HE ARG 42 -4.928 13.931 -5.339 304 HH11 ARG 42 2HH1 ARG 42 -2.618 16.406 -6.148 305 HH12 ARG 42 1HH1 ARG 42 -3.812 17.649 -6.318 306 HH21 ARG 42 2HH2 ARG 42 -6.511 15.559 -5.560 307 HH22 ARG 42 1HH2 ARG 42 -6.027 17.166 -5.982 308 H LEU 43 H LEU 43 0.216 12.578 -6.700 309 HA LEU 43 HA LEU 43 0.160 11.790 -3.871 310 HB2 LEU 43 1HB LEU 43 2.308 12.397 -5.818 311 HB3 LEU 43 2HB LEU 43 2.592 12.859 -4.142 312 HG LEU 43 HG LEU 43 1.964 10.068 -5.102 313 HD11 LEU 43 1HD1 LEU 43 4.317 9.617 -4.472 314 HD12 LEU 43 2HD1 LEU 43 4.554 11.350 -4.248 315 HD13 LEU 43 3HD1 LEU 43 4.155 10.714 -5.844 316 HD21 LEU 43 1HD2 LEU 43 2.458 11.265 -2.399 317 HD22 LEU 43 2HD2 LEU 43 2.827 9.572 -2.728 318 HD23 LEU 43 3HD2 LEU 43 1.177 10.167 -2.914 319 H ALA 44 H ALA 44 0.437 13.311 -2.231 320 HA ALA 44 HA ALA 44 -0.526 15.964 -2.887 321 HB1 ALA 44 1HB ALA 44 -0.263 16.155 -0.278 322 HB2 ALA 44 2HB ALA 44 -1.594 15.244 -0.994 323 HB3 ALA 44 3HB ALA 44 -0.174 14.396 -0.381 324 H GLU 45 H GLU 45 0.792 17.587 -3.350 325 HA GLU 45 HA GLU 45 3.588 17.469 -3.137 326 HB2 GLU 45 1HB GLU 45 3.611 19.723 -3.896 327 HB3 GLU 45 2HB GLU 45 2.250 18.941 -4.688 328 HG2 GLU 45 1HG GLU 45 0.731 19.939 -3.045 329 HG3 GLU 45 2HG GLU 45 2.101 20.745 -2.283 330 H ASP 46 H ASP 46 1.179 18.290 -0.841 331 HA ASP 46 HA ASP 46 3.242 19.355 0.975 332 HB2 ASP 46 1HB ASP 46 1.403 20.950 0.381 333 HB3 ASP 46 2HB ASP 46 0.262 19.841 1.136 334 H GLY 47 H GLY 47 2.648 16.550 0.495 335 HA2 GLY 47 1HA GLY 47 1.651 15.828 3.183 336 HA3 GLY 47 2HA GLY 47 1.324 14.855 1.756 337 HA PRO 48 HA PRO 48 5.325 13.592 4.008 338 HB2 PRO 48 1HB PRO 48 4.409 11.334 5.204 339 HB3 PRO 48 2HB PRO 48 4.373 12.918 5.988 340 HG2 PRO 48 1HG PRO 48 2.175 11.450 4.582 341 HG3 PRO 48 2HG PRO 48 2.119 12.356 6.105 342 HD2 PRO 48 1HD PRO 48 1.239 13.389 3.761 343 HD3 PRO 48 2HD PRO 48 1.966 14.391 5.033 344 H ALA 49 H ALA 49 2.849 12.004 2.137 345 HA ALA 49 HA ALA 49 4.291 9.688 1.406 346 HB1 ALA 49 1HB ALA 49 1.807 10.079 1.161 347 HB2 ALA 49 2HB ALA 49 2.188 11.026 -0.278 348 HB3 ALA 49 3HB ALA 49 2.609 9.315 -0.212 349 H ILE 50 H ILE 50 3.719 12.715 -0.397 350 HA ILE 50 HA ILE 50 5.343 12.123 -2.587 351 HB ILE 50 HB ILE 50 3.707 14.049 -2.363 352 HG12 ILE 50 1HG1 ILE 50 6.403 14.903 -3.409 353 HG13 ILE 50 2HG1 ILE 50 5.431 13.678 -4.217 354 HG21 ILE 50 1HG2 ILE 50 4.975 16.210 -1.669 355 HG22 ILE 50 2HG2 ILE 50 4.261 15.180 -0.429 356 HG23 ILE 50 3HG2 ILE 50 5.993 15.099 -0.753 357 HD11 ILE 50 1HD1 ILE 50 5.095 16.591 -4.104 358 HD12 ILE 50 2HD1 ILE 50 4.661 15.439 -5.367 359 HD13 ILE 50 3HD1 ILE 50 3.613 15.646 -3.964 360 H ARG 51 H ARG 51 6.194 12.894 0.630 361 HA ARG 51 HA ARG 51 8.892 13.741 -0.098 362 HB2 ARG 51 1HB ARG 51 7.564 13.506 2.609 363 HB3 ARG 51 2HB ARG 51 9.180 14.137 2.323 364 HG2 ARG 51 1HG ARG 51 8.296 15.999 1.092 365 HG3 ARG 51 2HG ARG 51 6.665 15.331 1.180 366 HD2 ARG 51 1HD ARG 51 8.113 15.774 3.732 367 HD3 ARG 51 2HD ARG 51 7.537 17.197 2.864 368 HE ARG 51 HE ARG 51 5.492 15.241 3.100 369 HH11 ARG 51 2HH1 ARG 51 7.204 17.690 4.887 370 HH12 ARG 51 1HH1 ARG 51 5.896 17.988 5.984 371 HH21 ARG 51 2HH2 ARG 51 3.764 15.624 4.539 372 HH22 ARG 51 1HH2 ARG 51 3.941 16.811 5.786 373 H ASN 52 H ASN 52 7.175 10.939 0.819 374 HA ASN 52 HA ASN 52 9.193 9.507 2.167 375 HB2 ASN 52 1HB ASN 52 7.249 8.371 2.445 376 HB3 ASN 52 2HB ASN 52 6.611 8.878 0.883 377 HD21 ASN 52 1HD2 ASN 52 6.168 7.189 -0.317 378 HD22 ASN 52 2HD2 ASN 52 7.126 5.759 -0.463 379 H GLY 53 H GLY 53 8.147 9.317 -1.243 380 HA2 GLY 53 1HA GLY 53 9.634 9.214 -3.085 381 HA3 GLY 53 2HA GLY 53 10.915 8.715 -1.991 382 H ARG 54 H ARG 54 10.027 6.555 -0.740 383 HA ARG 54 HA ARG 54 10.471 4.427 -2.309 384 HB2 ARG 54 1HB ARG 54 8.568 4.661 0.015 385 HB3 ARG 54 2HB ARG 54 8.912 3.120 -0.757 386 HG2 ARG 54 1HG ARG 54 11.336 3.521 -0.274 387 HG3 ARG 54 2HG ARG 54 10.842 4.917 0.685 388 HD2 ARG 54 1HD ARG 54 9.537 3.495 2.144 389 HD3 ARG 54 2HD ARG 54 9.902 2.089 1.144 390 HE ARG 54 HE ARG 54 11.879 1.893 2.256 391 HH11 ARG 54 2HH1 ARG 54 10.740 5.165 2.598 392 HH12 ARG 54 1HH1 ARG 54 12.012 5.633 3.678 393 HH21 ARG 54 2HH2 ARG 54 13.558 2.498 3.677 394 HH22 ARG 54 1HH2 ARG 54 13.614 4.116 4.290 395 H MET 55 H MET 55 7.476 6.225 -2.147 396 HA MET 55 HA MET 55 6.421 4.551 -4.329 397 HB2 MET 55 1HB MET 55 4.296 4.530 -3.429 398 HB3 MET 55 2HB MET 55 5.278 4.461 -1.972 399 HG2 MET 55 1HG MET 55 3.692 6.050 -1.449 400 HG3 MET 55 2HG MET 55 5.064 7.025 -1.970 401 HE1 MET 55 1HE MET 55 1.516 5.782 -2.638 402 HE2 MET 55 2HE MET 55 1.538 7.396 -1.928 403 HE3 MET 55 3HE MET 55 0.892 7.155 -3.552 404 H ARG 56 H ARG 56 5.217 5.615 -5.947 405 HA ARG 56 HA ARG 56 5.191 8.537 -5.892 406 HB2 ARG 56 1HB ARG 56 6.815 6.840 -7.699 407 HB3 ARG 56 2HB ARG 56 5.966 8.186 -8.448 408 HG2 ARG 56 1HG ARG 56 7.952 9.181 -7.930 409 HG3 ARG 56 2HG ARG 56 7.026 9.545 -6.472 410 HD2 ARG 56 1HD ARG 56 8.220 8.090 -5.185 411 HD3 ARG 56 2HD ARG 56 8.551 7.001 -6.532 412 HE ARG 56 HE ARG 56 9.890 9.562 -6.659 413 HH11 ARG 56 2HH1 ARG 56 10.051 6.237 -5.640 414 HH12 ARG 56 1HH1 ARG 56 11.783 6.200 -5.590 415 HH21 ARG 56 2HH2 ARG 56 12.170 9.526 -6.597 416 HH22 ARG 56 1HH2 ARG 56 12.987 8.071 -6.134 417 H VAL 57 H VAL 57 4.212 9.225 -8.217 418 HA VAL 57 HA VAL 57 1.587 8.003 -8.247 419 HB VAL 57 HB VAL 57 2.675 10.331 -9.837 420 HG11 VAL 57 1HG1 VAL 57 0.487 8.823 -10.461 421 HG12 VAL 57 2HG1 VAL 57 -0.218 10.098 -9.466 422 HG13 VAL 57 3HG1 VAL 57 0.713 10.514 -10.905 423 HG21 VAL 57 1HG2 VAL 57 1.807 11.760 -8.242 424 HG22 VAL 57 2HG2 VAL 57 0.698 10.546 -7.605 425 HG23 VAL 57 3HG2 VAL 57 2.421 10.439 -7.248 426 H GLY 58 H GLY 58 0.990 6.436 -9.587 427 HA2 GLY 58 1HA GLY 58 0.756 5.767 -11.943 428 HA3 GLY 58 2HA GLY 58 2.460 6.150 -12.135 429 H ASP 59 H ASP 59 3.261 4.940 -9.623 430 HA ASP 59 HA ASP 59 3.963 2.408 -10.455 431 HB2 ASP 59 1HB ASP 59 3.548 3.323 -7.600 432 HB3 ASP 59 2HB ASP 59 4.496 1.927 -8.106 433 H GLN 60 H GLN 60 3.339 0.317 -9.318 434 HA GLN 60 HA GLN 60 0.403 0.165 -9.121 435 HB2 GLN 60 1HB GLN 60 1.321 -0.920 -11.147 436 HB3 GLN 60 2HB GLN 60 2.300 -1.964 -10.124 437 HG2 GLN 60 1HG GLN 60 -0.668 -1.885 -9.799 438 HG3 GLN 60 2HG GLN 60 0.070 -2.844 -11.081 439 HE21 GLN 60 1HE2 GLN 60 -1.364 -3.382 -8.415 440 HE22 GLN 60 2HE2 GLN 60 -0.372 -4.583 -7.669 441 H ILE 61 H ILE 61 -0.340 -0.403 -7.196 442 HA ILE 61 HA ILE 61 1.483 -1.585 -5.248 443 HB ILE 61 HB ILE 61 -1.347 -0.657 -4.775 444 HG12 ILE 61 1HG1 ILE 61 1.027 0.992 -4.021 445 HG13 ILE 61 2HG1 ILE 61 0.469 1.039 -5.690 446 HG21 ILE 61 1HG2 ILE 61 0.976 -1.250 -2.954 447 HG22 ILE 61 2HG2 ILE 61 -0.491 -0.424 -2.432 448 HG23 ILE 61 3HG2 ILE 61 -0.578 -2.081 -3.027 449 HD11 ILE 61 1HD1 ILE 61 -0.437 2.835 -4.223 450 HD12 ILE 61 2HD1 ILE 61 -1.664 1.855 -5.028 451 HD13 ILE 61 3HD1 ILE 61 -1.299 1.588 -3.323 452 H ILE 62 H ILE 62 1.409 -3.651 -4.645 453 HA ILE 62 HA ILE 62 -0.831 -5.294 -5.614 454 HB ILE 62 HB ILE 62 0.970 -7.150 -4.923 455 HG12 ILE 62 1HG1 ILE 62 2.514 -5.146 -4.293 456 HG13 ILE 62 2HG1 ILE 62 3.193 -6.509 -5.176 457 HG21 ILE 62 1HG2 ILE 62 1.179 -5.670 -7.535 458 HG22 ILE 62 2HG2 ILE 62 1.475 -7.381 -7.232 459 HG23 ILE 62 3HG2 ILE 62 -0.164 -6.739 -7.128 460 HD11 ILE 62 1HD1 ILE 62 3.759 -4.107 -5.919 461 HD12 ILE 62 2HD1 ILE 62 3.360 -5.313 -7.144 462 HD13 ILE 62 3HD1 ILE 62 2.152 -4.129 -6.646 463 H GLU 63 H GLU 63 0.753 -4.136 -2.800 464 HA GLU 63 HA GLU 63 -1.074 -5.718 -1.140 465 HB2 GLU 63 1HB GLU 63 1.288 -6.692 -1.187 466 HB3 GLU 63 2HB GLU 63 1.787 -5.245 -0.323 467 HG2 GLU 63 1HG GLU 63 0.537 -5.804 1.572 468 HG3 GLU 63 2HG GLU 63 -0.419 -6.997 0.695 469 H ILE 64 H ILE 64 -1.715 -4.727 0.792 470 HA ILE 64 HA ILE 64 -0.770 -2.002 1.288 471 HB ILE 64 HB ILE 64 -3.678 -2.729 0.922 472 HG12 ILE 64 1HG1 ILE 64 -1.901 -0.791 -0.577 473 HG13 ILE 64 2HG1 ILE 64 -2.433 -2.359 -1.175 474 HG21 ILE 64 1HG2 ILE 64 -2.628 -0.889 2.697 475 HG22 ILE 64 2HG2 ILE 64 -3.071 0.082 1.295 476 HG23 ILE 64 3HG2 ILE 64 -4.281 -0.927 2.086 477 HD11 ILE 64 1HD1 ILE 64 -4.762 -1.571 -1.072 478 HD12 ILE 64 2HD1 ILE 64 -4.177 0.013 -0.563 479 HD13 ILE 64 3HD1 ILE 64 -3.757 -0.611 -2.158 480 H ASN 65 H ASN 65 -0.351 -1.738 3.374 481 HA ASN 65 HA ASN 65 -0.192 -2.179 5.608 482 HB2 ASN 65 1HB ASN 65 -3.101 -2.094 4.985 483 HB3 ASN 65 2HB ASN 65 -2.634 -2.672 6.582 484 HD21 ASN 65 1HD2 ASN 65 -3.902 -0.141 5.415 485 HD22 ASN 65 2HD2 ASN 65 -3.037 1.135 6.196 486 H GLY 66 H GLY 66 0.496 -4.385 4.100 487 HA2 GLY 66 1HA GLY 66 0.926 -6.625 4.376 488 HA3 GLY 66 2HA GLY 66 0.262 -6.468 5.996 489 H GLU 67 H GLU 67 -1.463 -5.796 2.998 490 HA GLU 67 HA GLU 67 -3.043 -8.241 3.380 491 HB2 GLU 67 1HB GLU 67 -4.166 -5.464 2.977 492 HB3 GLU 67 2HB GLU 67 -5.112 -6.945 2.912 493 HG2 GLU 67 1HG GLU 67 -3.494 -6.348 5.341 494 HG3 GLU 67 2HG GLU 67 -5.028 -5.517 5.089 495 H SER 68 H SER 68 -3.358 -9.339 1.554 496 HA SER 68 HA SER 68 -2.167 -8.580 -0.868 497 HB2 SER 68 1HB SER 68 -2.661 -10.932 -0.182 498 HB3 SER 68 2HB SER 68 -4.369 -10.624 -0.493 499 HG SER 68 HG SER 68 -4.007 -10.883 -2.541 500 H THR 69 H THR 69 -2.803 -7.189 -2.364 501 HA THR 69 HA THR 69 -5.570 -6.244 -2.354 502 HB THR 69 HB THR 69 -4.836 -4.345 -3.583 503 HG1 THR 69 1HG THR 69 -2.429 -4.382 -4.148 504 HG21 THR 69 1HG2 THR 69 -3.542 -5.119 -1.152 505 HG22 THR 69 2HG2 THR 69 -3.995 -3.505 -1.699 506 HG23 THR 69 3HG2 THR 69 -2.420 -4.172 -2.128 507 H ARG 70 H ARG 70 -5.483 -8.756 -3.325 508 HA ARG 70 HA ARG 70 -5.426 -8.539 -6.248 509 HB2 ARG 70 1HB ARG 70 -4.232 -10.419 -5.008 510 HB3 ARG 70 2HB ARG 70 -5.830 -11.054 -4.637 511 HG2 ARG 70 1HG ARG 70 -6.221 -11.714 -6.781 512 HG3 ARG 70 2HG ARG 70 -5.199 -10.452 -7.473 513 HD2 ARG 70 1HD ARG 70 -3.217 -11.678 -6.571 514 HD3 ARG 70 2HD ARG 70 -4.306 -12.984 -6.105 515 HE ARG 70 HE ARG 70 -4.848 -12.705 -8.718 516 HH11 ARG 70 2HH1 ARG 70 -1.845 -12.980 -6.977 517 HH12 ARG 70 1HH1 ARG 70 -1.010 -13.758 -8.280 518 HH21 ARG 70 2HH2 ARG 70 -3.759 -13.729 -10.441 519 HH22 ARG 70 1HH2 ARG 70 -2.099 -14.182 -10.251 520 H ASP 71 H ASP 71 -7.542 -9.478 -3.571 521 HA ASP 71 HA ASP 71 -9.830 -9.310 -5.423 522 HB2 ASP 71 1HB ASP 71 -11.003 -10.773 -3.699 523 HB3 ASP 71 2HB ASP 71 -9.737 -11.548 -4.648 524 H MET 72 H MET 72 -8.910 -6.968 -4.413 525 HA MET 72 HA MET 72 -10.924 -6.300 -2.369 526 HB2 MET 72 1HB MET 72 -8.291 -4.865 -2.687 527 HB3 MET 72 2HB MET 72 -9.442 -4.732 -1.364 528 HG2 MET 72 1HG MET 72 -8.928 -7.286 -1.079 529 HG3 MET 72 2HG MET 72 -7.452 -6.863 -1.942 530 HE1 MET 72 1HE MET 72 -6.560 -4.437 -1.418 531 HE2 MET 72 2HE MET 72 -7.375 -3.523 -0.150 532 HE3 MET 72 3HE MET 72 -5.792 -4.239 0.158 533 H THR 73 H THR 73 -11.768 -4.123 -2.471 534 HA THR 73 HA THR 73 -11.796 -3.097 -5.228 535 HB THR 73 HB THR 73 -13.944 -2.016 -4.621 536 HG1 THR 73 1HG THR 73 -13.495 -3.392 -2.169 537 HG21 THR 73 1HG2 THR 73 -13.648 -4.993 -4.343 538 HG22 THR 73 2HG2 THR 73 -14.212 -4.063 -5.732 539 HG23 THR 73 3HG2 THR 73 -15.230 -4.217 -4.300 540 H HIS 74 H HIS 74 -11.575 -0.898 -5.637 541 HA HIS 74 HA HIS 74 -9.700 0.583 -4.458 542 HB2 HIS 74 1HB HIS 74 -11.188 1.174 -6.473 543 HB3 HIS 74 2HB HIS 74 -12.249 1.947 -5.300 544 HD1 HIS 74 1HD HIS 74 -11.482 4.045 -6.945 545 HD2 HIS 74 2HD HIS 74 -8.708 2.594 -4.214 546 HE1 HIS 74 1HE HIS 74 -9.770 5.869 -6.693 547 HE2 HIS 74 2HE HIS 74 -8.056 4.934 -5.101 548 H ALA 75 H ALA 75 -12.995 0.261 -3.279 549 HA ALA 75 HA ALA 75 -12.941 2.269 -1.320 550 HB1 ALA 75 1HB ALA 75 -14.964 1.472 -0.652 551 HB2 ALA 75 2HB ALA 75 -14.868 0.688 -2.230 552 HB3 ALA 75 3HB ALA 75 -14.464 -0.216 -0.770 553 H ARG 76 H ARG 76 -12.349 -1.234 -0.983 554 HA ARG 76 HA ARG 76 -11.755 -1.371 1.685 555 HB2 ARG 76 1HB ARG 76 -11.836 -3.389 0.438 556 HB3 ARG 76 2HB ARG 76 -10.563 -2.854 -0.651 557 HG2 ARG 76 1HG ARG 76 -9.803 -4.563 0.942 558 HG3 ARG 76 2HG ARG 76 -8.921 -3.043 1.104 559 HD2 ARG 76 1HD ARG 76 -9.830 -2.573 3.144 560 HD3 ARG 76 2HD ARG 76 -11.331 -3.428 2.792 561 HE ARG 76 HE ARG 76 -9.000 -5.113 3.081 562 HH11 ARG 76 2HH1 ARG 76 -11.723 -3.618 4.653 563 HH12 ARG 76 1HH1 ARG 76 -11.747 -4.744 5.970 564 HH21 ARG 76 2HH2 ARG 76 -9.021 -6.601 4.809 565 HH22 ARG 76 1HH2 ARG 76 -10.209 -6.440 6.058 566 H ALA 77 H ALA 77 -9.373 -0.820 -0.914 567 HA ALA 77 HA ALA 77 -7.115 -0.457 0.608 568 HB1 ALA 77 1HB ALA 77 -7.312 -0.488 -1.915 569 HB2 ALA 77 2HB ALA 77 -7.716 1.226 -1.810 570 HB3 ALA 77 3HB ALA 77 -6.150 0.653 -1.237 571 H ILE 78 H ILE 78 -9.479 2.030 -0.336 572 HA ILE 78 HA ILE 78 -8.225 4.194 0.929 573 HB ILE 78 HB ILE 78 -11.188 3.813 0.481 574 HG12 ILE 78 1HG1 ILE 78 -9.498 3.619 -1.510 575 HG13 ILE 78 2HG1 ILE 78 -10.940 4.613 -1.684 576 HG21 ILE 78 1HG2 ILE 78 -9.575 6.340 0.800 577 HG22 ILE 78 2HG2 ILE 78 -11.314 6.232 0.534 578 HG23 ILE 78 3HG2 ILE 78 -10.613 5.630 2.036 579 HD11 ILE 78 1HD1 ILE 78 -9.686 6.609 -1.331 580 HD12 ILE 78 2HD1 ILE 78 -8.244 5.687 -0.904 581 HD13 ILE 78 3HD1 ILE 78 -8.860 5.646 -2.556 582 H GLU 79 H GLU 79 -10.005 1.552 2.215 583 HA GLU 79 HA GLU 79 -10.581 2.902 4.726 584 HB2 GLU 79 1HB GLU 79 -12.329 1.488 4.403 585 HB3 GLU 79 2HB GLU 79 -11.379 0.366 3.440 586 HG2 GLU 79 1HG GLU 79 -10.729 -0.856 5.239 587 HG3 GLU 79 2HG GLU 79 -10.776 0.524 6.334 588 H LEU 80 H LEU 80 -8.350 0.553 3.401 589 HA LEU 80 HA LEU 80 -7.280 -0.354 5.863 590 HB2 LEU 80 1HB LEU 80 -6.100 -0.305 3.091 591 HB3 LEU 80 2HB LEU 80 -5.374 -1.133 4.468 592 HG LEU 80 HG LEU 80 -7.951 -1.809 3.062 593 HD11 LEU 80 1HD1 LEU 80 -5.815 -3.783 3.576 594 HD12 LEU 80 2HD1 LEU 80 -5.464 -2.530 2.385 595 HD13 LEU 80 3HD1 LEU 80 -6.866 -3.580 2.174 596 HD21 LEU 80 1HD2 LEU 80 -8.295 -2.036 5.458 597 HD22 LEU 80 2HD2 LEU 80 -6.814 -2.984 5.598 598 HD23 LEU 80 3HD2 LEU 80 -8.189 -3.622 4.695 599 H ILE 81 H ILE 81 -6.405 2.257 3.656 600 HA ILE 81 HA ILE 81 -3.975 2.996 4.833 601 HB ILE 81 HB ILE 81 -5.954 4.852 3.508 602 HG12 ILE 81 1HG1 ILE 81 -3.652 3.492 2.132 603 HG13 ILE 81 2HG1 ILE 81 -5.222 2.706 2.249 604 HG21 ILE 81 1HG2 ILE 81 -3.999 6.199 2.977 605 HG22 ILE 81 2HG2 ILE 81 -4.145 5.974 4.719 606 HG23 ILE 81 3HG2 ILE 81 -2.959 5.042 3.806 607 HD11 ILE 81 1HD1 ILE 81 -4.576 4.150 0.165 608 HD12 ILE 81 2HD1 ILE 81 -6.216 4.177 0.815 609 HD13 ILE 81 3HD1 ILE 81 -5.093 5.482 1.198 610 H LYS 82 H LYS 82 -7.290 3.755 5.685 611 HA LYS 82 HA LYS 82 -6.389 5.558 7.809 612 HB2 LYS 82 1HB LYS 82 -8.905 5.894 8.107 613 HB3 LYS 82 2HB LYS 82 -8.188 6.505 6.622 614 HG2 LYS 82 1HG LYS 82 -8.964 4.498 5.439 615 HG3 LYS 82 2HG LYS 82 -9.721 3.930 6.929 616 HD2 LYS 82 1HD LYS 82 -11.318 5.033 5.399 617 HD3 LYS 82 2HD LYS 82 -11.191 5.849 6.959 618 HE2 LYS 82 1HE LYS 82 -9.435 6.755 4.734 619 HE3 LYS 82 2HE LYS 82 -11.142 7.190 4.683 620 HZ1 LYS 82 1HZ LYS 82 -10.086 7.660 7.265 621 HZ2 LYS 82 2HZ LYS 82 -10.798 8.756 6.191 622 HZ3 LYS 82 3HZ LYS 82 -9.137 8.448 6.108 623 H SER 83 H SER 83 -7.449 2.345 7.302 624 HA SER 83 HA SER 83 -8.475 1.894 9.944 625 HB2 SER 83 1HB SER 83 -9.253 0.538 8.056 626 HB3 SER 83 2HB SER 83 -7.618 -0.074 7.808 627 HG SER 83 HG SER 83 -8.863 -1.539 9.019 628 H GLY 84 H GLY 84 -5.375 1.651 8.362 629 HA2 GLY 84 1HA GLY 84 -4.096 0.013 10.299 630 HA3 GLY 84 2HA GLY 84 -3.292 1.048 9.127 631 H GLY 85 H GLY 85 -4.178 3.543 9.845 632 HA2 GLY 85 1HA GLY 85 -4.429 4.641 12.163 633 HA3 GLY 85 2HA GLY 85 -2.902 3.833 12.483 634 H ARG 86 H ARG 86 -1.405 5.380 12.582 635 HA ARG 86 HA ARG 86 -1.517 7.636 10.739 636 HB2 ARG 86 1HB ARG 86 -0.182 7.064 13.319 637 HB3 ARG 86 2HB ARG 86 0.698 8.105 12.208 638 HG2 ARG 86 1HG ARG 86 -0.899 9.771 12.294 639 HG3 ARG 86 2HG ARG 86 -2.168 8.666 12.826 640 HD2 ARG 86 1HD ARG 86 -1.219 8.517 15.013 641 HD3 ARG 86 2HD ARG 86 0.225 9.390 14.503 642 HE ARG 86 HE ARG 86 -1.895 11.086 14.028 643 HH11 ARG 86 2HH1 ARG 86 -0.501 9.471 16.779 644 HH12 ARG 86 1HH1 ARG 86 -0.977 10.698 17.906 645 HH21 ARG 86 2HH2 ARG 86 -2.528 12.709 15.502 646 HH22 ARG 86 1HH2 ARG 86 -2.131 12.539 17.178 647 H ARG 87 H ARG 87 0.138 4.655 11.158 648 HA ARG 87 HA ARG 87 2.084 5.421 9.082 649 HB2 ARG 87 1HB ARG 87 2.360 3.170 11.079 650 HB3 ARG 87 2HB ARG 87 3.585 3.748 9.957 651 HG2 ARG 87 1HG ARG 87 3.513 5.947 11.160 652 HG3 ARG 87 2HG ARG 87 2.490 5.167 12.369 653 HD2 ARG 87 1HD ARG 87 4.208 3.666 12.990 654 HD3 ARG 87 2HD ARG 87 5.182 4.085 11.582 655 HE ARG 87 HE ARG 87 4.666 6.279 13.382 656 HH11 ARG 87 2HH1 ARG 87 6.783 3.637 12.571 657 HH12 ARG 87 1HH1 ARG 87 8.158 4.321 13.373 658 HH21 ARG 87 2HH2 ARG 87 6.469 7.190 14.442 659 HH22 ARG 87 1HH2 ARG 87 7.978 6.342 14.437 660 H VAL 88 H VAL 88 1.807 4.515 7.160 661 HA VAL 88 HA VAL 88 0.311 1.978 7.003 662 HB VAL 88 HB VAL 88 -0.966 3.847 6.054 663 HG11 VAL 88 1HG1 VAL 88 1.564 4.614 5.032 664 HG12 VAL 88 2HG1 VAL 88 0.492 4.325 3.660 665 HG13 VAL 88 3HG1 VAL 88 0.028 5.473 4.917 666 HG21 VAL 88 1HG2 VAL 88 0.067 1.989 3.915 667 HG22 VAL 88 2HG2 VAL 88 -1.163 1.573 5.109 668 HG23 VAL 88 3HG2 VAL 88 -1.480 2.835 3.918 669 H ARG 89 H ARG 89 1.024 0.407 5.572 670 HA ARG 89 HA ARG 89 3.541 0.922 4.155 671 HB2 ARG 89 1HB ARG 89 4.306 -0.120 6.143 672 HB3 ARG 89 2HB ARG 89 2.996 -1.293 6.121 673 HG2 ARG 89 1HG ARG 89 4.023 -2.145 3.948 674 HG3 ARG 89 2HG ARG 89 5.438 -1.186 4.386 675 HD2 ARG 89 1HD ARG 89 5.821 -2.448 6.333 676 HD3 ARG 89 2HD ARG 89 4.213 -3.169 6.279 677 HE ARG 89 HE ARG 89 5.678 -3.863 3.963 678 HH11 ARG 89 2HH1 ARG 89 5.465 -4.543 7.371 679 HH12 ARG 89 1HH1 ARG 89 6.096 -6.150 7.222 680 HH21 ARG 89 2HH2 ARG 89 6.509 -5.977 3.755 681 HH22 ARG 89 1HH2 ARG 89 6.690 -6.964 5.165 682 H LEU 90 H LEU 90 3.243 0.457 2.087 683 HA LEU 90 HA LEU 90 1.597 -1.880 1.387 684 HB2 LEU 90 1HB LEU 90 1.168 -0.366 -0.757 685 HB3 LEU 90 2HB LEU 90 0.123 -0.331 0.661 686 HG LEU 90 HG LEU 90 2.377 1.593 0.602 687 HD11 LEU 90 1HD1 LEU 90 -0.106 2.299 -0.894 688 HD12 LEU 90 2HD1 LEU 90 1.209 1.469 -1.723 689 HD13 LEU 90 3HD1 LEU 90 1.496 3.033 -0.962 690 HD21 LEU 90 1HD2 LEU 90 -0.085 1.182 2.000 691 HD22 LEU 90 2HD2 LEU 90 -0.107 2.764 1.221 692 HD23 LEU 90 3HD2 LEU 90 1.202 2.344 2.327 693 H LEU 91 H LEU 91 2.240 -3.048 -0.429 694 HA LEU 91 HA LEU 91 5.048 -2.818 -1.067 695 HB2 LEU 91 1HB LEU 91 3.735 -4.975 -0.655 696 HB3 LEU 91 2HB LEU 91 3.109 -4.757 -2.288 697 HG LEU 91 HG LEU 91 6.019 -5.091 -1.561 698 HD11 LEU 91 1HD1 LEU 91 5.673 -7.269 -2.828 699 HD12 LEU 91 2HD1 LEU 91 3.947 -7.003 -2.592 700 HD13 LEU 91 3HD1 LEU 91 5.010 -7.177 -1.196 701 HD21 LEU 91 1HD2 LEU 91 4.586 -4.791 -4.191 702 HD22 LEU 91 2HD2 LEU 91 6.220 -5.439 -4.049 703 HD23 LEU 91 3HD2 LEU 91 5.879 -3.786 -3.535 704 H LEU 92 H LEU 92 5.818 -1.672 -2.702 705 HA LEU 92 HA LEU 92 4.200 -1.394 -5.136 706 HB2 LEU 92 1HB LEU 92 4.157 0.637 -3.558 707 HB3 LEU 92 2HB LEU 92 5.827 0.886 -4.065 708 HG LEU 92 HG LEU 92 4.814 0.849 -6.467 709 HD11 LEU 92 1HD1 LEU 92 2.514 0.311 -5.161 710 HD12 LEU 92 2HD1 LEU 92 2.596 1.090 -6.741 711 HD13 LEU 92 3HD1 LEU 92 2.414 2.068 -5.284 712 HD21 LEU 92 1HD2 LEU 92 5.467 2.962 -6.308 713 HD22 LEU 92 2HD2 LEU 92 5.350 2.882 -4.550 714 HD23 LEU 92 3HD2 LEU 92 3.949 3.368 -5.506 715 H LYS 93 H LYS 93 5.349 -1.267 -7.057 716 HA LYS 93 HA LYS 93 8.263 -1.645 -6.844 717 HB2 LYS 93 1HB LYS 93 8.247 -3.369 -8.421 718 HB3 LYS 93 2HB LYS 93 6.848 -3.723 -7.416 719 HG2 LYS 93 1HG LYS 93 5.533 -2.385 -9.197 720 HG3 LYS 93 2HG LYS 93 6.949 -2.674 -10.212 721 HD2 LYS 93 1HD LYS 93 6.709 -5.091 -9.826 722 HD3 LYS 93 2HD LYS 93 5.271 -4.783 -8.850 723 HE2 LYS 93 1HE LYS 93 5.600 -4.061 -11.761 724 HE3 LYS 93 2HE LYS 93 4.720 -5.461 -11.151 725 HZ1 LYS 93 1HZ LYS 93 4.029 -2.704 -10.334 726 HZ2 LYS 93 2HZ LYS 93 3.089 -4.103 -10.202 727 HZ3 LYS 93 3HZ LYS 93 3.371 -3.415 -11.721 728 H ARG 94 H ARG 94 9.467 -0.334 -8.067 729 HA ARG 94 HA ARG 94 8.108 1.547 -9.825 730 HB2 ARG 94 1HB ARG 94 9.997 2.021 -8.032 731 HB3 ARG 94 2HB ARG 94 11.058 1.611 -9.373 732 HG2 ARG 94 1HG ARG 94 8.893 3.583 -9.859 733 HG3 ARG 94 2HG ARG 94 10.291 4.090 -8.909 734 HD2 ARG 94 1HD ARG 94 11.765 3.320 -10.738 735 HD3 ARG 94 2HD ARG 94 10.335 2.922 -11.689 736 HE ARG 94 HE ARG 94 10.005 5.548 -11.018 737 HH11 ARG 94 2HH1 ARG 94 12.480 3.704 -12.629 738 HH12 ARG 94 1HH1 ARG 94 12.992 5.022 -13.632 739 HH21 ARG 94 2HH2 ARG 94 10.669 7.290 -12.332 740 HH22 ARG 94 1HH2 ARG 94 11.962 7.061 -13.461 741 H GLY 95 H GLY 95 8.569 1.826 -12.002 742 HA2 GLY 95 1HA GLY 95 9.558 -0.554 -13.340 743 HA3 GLY 95 2HA GLY 95 8.787 0.830 -14.102 744 H THR 96 H THR 96 11.747 0.206 -12.209 745 HA THR 96 HA THR 96 13.192 2.043 -13.973 746 HB THR 96 HB THR 96 13.461 2.428 -11.576 747 HG1 THR 96 1HG THR 96 15.447 2.030 -13.324 748 HG21 THR 96 1HG2 THR 96 14.767 -0.288 -11.441 749 HG22 THR 96 2HG2 THR 96 13.120 0.041 -10.902 750 HG23 THR 96 3HG2 THR 96 14.482 0.831 -10.109 751 H GLY 97 H GLY 97 13.284 -1.293 -12.789 752 HA2 GLY 97 1HA GLY 97 15.580 -2.334 -13.676 753 HA3 GLY 97 2HA GLY 97 14.054 -3.169 -13.930 754 H SER 98 H SER 98 12.869 -2.645 -15.933 755 HA SER 98 HA SER 98 14.769 -2.152 -18.127 756 HB2 SER 98 1HB SER 98 13.388 -4.394 -17.807 757 HB3 SER 98 2HB SER 98 12.124 -3.458 -18.604 758 HG SER 98 HG SER 98 14.001 -4.742 -19.795 759 H GLY 99 H GLY 99 13.559 0.009 -16.747 760 HA2 GLY 99 1HA GLY 99 12.281 1.897 -17.082 761 HA3 GLY 99 2HA GLY 99 12.793 1.697 -18.751 762 HA PRO 100 HA PRO 100 8.143 1.439 -18.506 763 HB2 PRO 100 1HB PRO 100 7.681 3.310 -20.418 764 HB3 PRO 100 2HB PRO 100 7.885 3.713 -18.709 765 HG2 PRO 100 1HG PRO 100 9.872 3.870 -20.943 766 HG3 PRO 100 2HG PRO 100 9.559 5.031 -19.639 767 HD2 PRO 100 1HD PRO 100 11.636 3.295 -19.577 768 HD3 PRO 100 2HD PRO 100 10.800 3.837 -18.107 769 H SER 101 H SER 101 6.646 1.236 -20.527 770 HA SER 101 HA SER 101 6.081 0.142 -22.444 771 HB2 SER 101 1HB SER 101 7.993 1.576 -23.377 772 HB3 SER 101 2HB SER 101 8.991 0.129 -23.237 773 HG SER 101 HG SER 101 8.048 0.311 -25.309 774 H SER 102 H SER 102 6.514 -1.324 -20.130 775 HA SER 102 HA SER 102 8.158 -3.614 -20.669 776 HB2 SER 102 1HB SER 102 6.164 -2.933 -18.513 777 HB3 SER 102 2HB SER 102 6.900 -4.532 -18.618 778 HG SER 102 HG SER 102 7.951 -2.204 -17.700 779 H GLY 103 H GLY 103 7.448 -4.543 -22.578 780 HA2 GLY 103 1HA GLY 103 4.652 -5.343 -22.805 781 HA3 GLY 103 2HA GLY 103 5.883 -5.495 -24.049 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.852 -27.375 -15.102 2 HA2 GLY 1 1HA GLY 1 12.007 -28.337 -17.887 3 HA3 GLY 1 2HA GLY 1 10.636 -27.385 -17.338 4 H SER 2 H SER 2 13.028 -27.039 -19.291 5 HA SER 2 HA SER 2 14.447 -24.768 -18.297 6 HB2 SER 2 1HB SER 2 14.220 -26.101 -20.982 7 HB3 SER 2 2HB SER 2 15.044 -24.551 -20.819 8 HG SER 2 HG SER 2 15.768 -26.467 -18.970 9 H SER 3 H SER 3 14.296 -22.602 -19.019 10 HA SER 3 HA SER 3 13.199 -20.668 -19.499 11 HB2 SER 3 1HB SER 3 13.027 -22.056 -21.751 12 HB3 SER 3 2HB SER 3 11.312 -22.069 -21.345 13 HG SER 3 HG SER 3 11.727 -20.257 -22.579 14 H GLY 4 H GLY 4 12.374 -21.781 -17.200 15 HA2 GLY 4 1HA GLY 4 9.435 -21.780 -17.254 16 HA3 GLY 4 2HA GLY 4 10.436 -22.380 -15.939 17 H SER 5 H SER 5 8.238 -20.207 -16.376 18 HA SER 5 HA SER 5 9.514 -18.272 -14.587 19 HB2 SER 5 1HB SER 5 9.722 -17.068 -16.589 20 HB3 SER 5 2HB SER 5 8.182 -17.656 -17.213 21 HG SER 5 HG SER 5 7.908 -15.548 -16.533 22 H SER 6 H SER 6 8.311 -17.999 -12.837 23 HA SER 6 HA SER 6 5.399 -18.395 -13.053 24 HB2 SER 6 1HB SER 6 6.545 -20.251 -11.843 25 HB3 SER 6 2HB SER 6 7.125 -19.077 -10.661 26 HG SER 6 HG SER 6 4.851 -20.351 -10.611 27 H GLY 7 H GLY 7 4.910 -16.218 -13.248 28 HA2 GLY 7 1HA GLY 7 4.426 -14.100 -12.509 29 HA3 GLY 7 2HA GLY 7 4.545 -14.762 -10.885 30 H GLN 8 H GLN 8 6.310 -13.211 -13.491 31 HA GLN 8 HA GLN 8 8.408 -12.495 -11.550 32 HB2 GLN 8 1HB GLN 8 9.829 -12.167 -13.675 33 HB3 GLN 8 2HB GLN 8 9.522 -13.810 -13.127 34 HG2 GLN 8 1HG GLN 8 7.883 -14.153 -14.809 35 HG3 GLN 8 2HG GLN 8 7.885 -12.445 -15.245 36 HE21 GLN 8 1HE2 GLN 8 8.455 -12.695 -17.353 37 HE22 GLN 8 2HE2 GLN 8 9.991 -13.294 -17.866 38 H ASP 9 H ASP 9 8.126 -10.463 -10.921 39 HA ASP 9 HA ASP 9 7.434 -8.456 -12.964 40 HB2 ASP 9 1HB ASP 9 6.568 -8.523 -10.065 41 HB3 ASP 9 2HB ASP 9 6.269 -7.188 -11.174 42 H PHE 10 H PHE 10 7.848 -6.152 -11.717 43 HA PHE 10 HA PHE 10 10.648 -5.887 -11.677 44 HB2 PHE 10 1HB PHE 10 8.729 -3.916 -10.443 45 HB3 PHE 10 2HB PHE 10 10.287 -3.590 -11.194 46 HD1 PHE 10 2HD PHE 10 10.217 -4.879 -13.725 47 HD2 PHE 10 1HD PHE 10 7.053 -2.929 -11.652 48 HE1 PHE 10 2HE PHE 10 9.091 -4.438 -15.867 49 HE2 PHE 10 1HE PHE 10 5.921 -2.485 -13.791 50 HZ PHE 10 HZ PHE 10 6.940 -3.238 -15.902 51 H ASP 11 H ASP 11 11.477 -4.395 -9.646 52 HA ASP 11 HA ASP 11 11.901 -6.248 -7.564 53 HB2 ASP 11 1HB ASP 11 12.546 -3.353 -7.971 54 HB3 ASP 11 2HB ASP 11 12.768 -4.068 -6.377 55 H TYR 12 H TYR 12 10.519 -6.837 -6.040 56 HA TYR 12 HA TYR 12 8.235 -5.184 -5.391 57 HB2 TYR 12 1HB TYR 12 9.105 -7.961 -4.640 58 HB3 TYR 12 2HB TYR 12 7.783 -7.171 -3.788 59 HD1 TYR 12 1HD TYR 12 6.329 -5.786 -5.868 60 HD2 TYR 12 2HD TYR 12 8.197 -9.607 -5.989 61 HE1 TYR 12 1HE TYR 12 4.768 -6.486 -7.634 62 HE2 TYR 12 2HE TYR 12 6.642 -10.317 -7.757 63 HH TYR 12 HH TYR 12 4.957 -9.731 -9.072 64 H PHE 13 H PHE 13 8.889 -3.437 -4.220 65 HA PHE 13 HA PHE 13 10.349 -3.966 -1.719 66 HB2 PHE 13 1HB PHE 13 11.191 -1.743 -1.790 67 HB3 PHE 13 2HB PHE 13 11.382 -2.389 -3.417 68 HD1 PHE 13 1HD PHE 13 10.039 -1.561 -5.251 69 HD2 PHE 13 2HD PHE 13 9.602 0.009 -1.319 70 HE1 PHE 13 1HE PHE 13 8.792 0.356 -6.159 71 HE2 PHE 13 2HE PHE 13 8.354 1.929 -2.221 72 HZ PHE 13 HZ PHE 13 7.947 2.103 -4.643 73 H THR 14 H THR 14 9.752 -2.597 0.137 74 HA THR 14 HA THR 14 6.837 -2.245 0.236 75 HB THR 14 HB THR 14 7.099 -2.338 2.704 76 HG1 THR 14 1HG THR 14 9.125 -1.819 3.222 77 HG21 THR 14 1HG2 THR 14 8.419 -4.730 1.438 78 HG22 THR 14 2HG2 THR 14 6.704 -4.373 1.234 79 HG23 THR 14 3HG2 THR 14 7.354 -4.686 2.843 80 H VAL 15 H VAL 15 5.966 -0.442 1.445 81 HA VAL 15 HA VAL 15 7.719 1.926 1.327 82 HB VAL 15 HB VAL 15 4.710 1.864 1.064 83 HG11 VAL 15 1HG1 VAL 15 4.979 4.203 0.351 84 HG12 VAL 15 2HG1 VAL 15 5.529 3.944 2.008 85 HG13 VAL 15 3HG1 VAL 15 6.704 4.098 0.701 86 HG21 VAL 15 1HG2 VAL 15 6.325 0.916 -0.818 87 HG22 VAL 15 2HG2 VAL 15 4.888 1.863 -1.208 88 HG23 VAL 15 3HG2 VAL 15 6.475 2.633 -1.195 89 H ASP 16 H ASP 16 7.732 3.363 3.024 90 HA ASP 16 HA ASP 16 6.076 2.727 5.362 91 HB2 ASP 16 1HB ASP 16 8.293 1.679 5.683 92 HB3 ASP 16 2HB ASP 16 9.054 3.253 5.466 93 H MET 17 H MET 17 4.884 4.487 5.671 94 HA MET 17 HA MET 17 6.223 7.066 5.913 95 HB2 MET 17 1HB MET 17 3.655 7.101 4.418 96 HB3 MET 17 2HB MET 17 5.038 8.180 4.300 97 HG2 MET 17 1HG MET 17 6.276 6.389 3.124 98 HG3 MET 17 2HG MET 17 4.813 5.407 3.157 99 HE1 MET 17 1HE MET 17 2.627 8.323 2.248 100 HE2 MET 17 2HE MET 17 2.331 7.096 1.017 101 HE3 MET 17 3HE MET 17 2.597 6.617 2.694 102 H GLU 18 H GLU 18 4.394 8.761 6.553 103 HA GLU 18 HA GLU 18 2.613 7.468 8.510 104 HB2 GLU 18 1HB GLU 18 4.672 9.564 8.922 105 HB3 GLU 18 2HB GLU 18 3.149 9.779 9.773 106 HG2 GLU 18 1HG GLU 18 3.459 7.932 11.089 107 HG3 GLU 18 2HG GLU 18 4.510 7.139 9.917 108 H LYS 19 H LYS 19 1.008 9.190 9.398 109 HA LYS 19 HA LYS 19 -0.359 10.280 7.093 110 HB2 LYS 19 1HB LYS 19 -1.356 9.049 9.195 111 HB3 LYS 19 2HB LYS 19 -1.323 10.661 9.899 112 HG2 LYS 19 1HG LYS 19 -2.948 11.457 8.505 113 HG3 LYS 19 2HG LYS 19 -2.556 10.317 7.216 114 HD2 LYS 19 1HD LYS 19 -3.673 9.321 9.806 115 HD3 LYS 19 2HD LYS 19 -4.748 10.015 8.591 116 HE2 LYS 19 1HE LYS 19 -3.467 8.380 6.986 117 HE3 LYS 19 2HE LYS 19 -3.108 7.525 8.486 118 HZ1 LYS 19 1HZ LYS 19 -5.880 8.312 7.926 119 HZ2 LYS 19 2HZ LYS 19 -5.295 7.000 8.819 120 HZ3 LYS 19 3HZ LYS 19 -5.238 6.965 7.128 121 H GLY 20 H GLY 20 -0.992 12.454 6.840 122 HA2 GLY 20 1HA GLY 20 0.700 14.357 8.341 123 HA3 GLY 20 2HA GLY 20 0.260 14.559 6.652 124 H ALA 21 H ALA 21 -0.615 16.614 7.058 125 HA ALA 21 HA ALA 21 -2.567 17.163 9.009 126 HB1 ALA 21 1HB ALA 21 -3.064 19.169 7.626 127 HB2 ALA 21 2HB ALA 21 -1.350 18.960 7.990 128 HB3 ALA 21 3HB ALA 21 -1.971 18.537 6.394 129 H LYS 22 H LYS 22 -2.899 16.430 5.540 130 HA LYS 22 HA LYS 22 -5.754 15.883 6.009 131 HB2 LYS 22 1HB LYS 22 -4.267 16.723 3.522 132 HB3 LYS 22 2HB LYS 22 -5.918 16.116 3.481 133 HG2 LYS 22 1HG LYS 22 -6.254 18.386 3.524 134 HG3 LYS 22 2HG LYS 22 -6.362 17.981 5.239 135 HD2 LYS 22 1HD LYS 22 -4.948 19.798 5.295 136 HD3 LYS 22 2HD LYS 22 -3.791 18.467 5.211 137 HE2 LYS 22 1HE LYS 22 -3.264 18.892 3.002 138 HE3 LYS 22 2HE LYS 22 -4.790 19.718 2.689 139 HZ1 LYS 22 1HZ LYS 22 -2.318 20.753 3.842 140 HZ2 LYS 22 2HZ LYS 22 -3.766 21.366 4.465 141 HZ3 LYS 22 3HZ LYS 22 -3.431 21.506 2.813 142 H GLY 23 H GLY 23 -3.536 14.040 6.547 143 HA2 GLY 23 1HA GLY 23 -3.887 11.644 6.402 144 HA3 GLY 23 2HA GLY 23 -4.392 11.875 4.735 145 H PHE 24 H PHE 24 -2.724 10.023 4.684 146 HA PHE 24 HA PHE 24 0.005 10.467 4.996 147 HB2 PHE 24 1HB PHE 24 -1.550 8.626 3.189 148 HB3 PHE 24 2HB PHE 24 0.211 8.646 3.190 149 HD1 PHE 24 1HD PHE 24 1.445 8.032 5.254 150 HD2 PHE 24 2HD PHE 24 -2.771 7.560 4.905 151 HE1 PHE 24 1HE PHE 24 1.462 6.491 7.172 152 HE2 PHE 24 2HE PHE 24 -2.761 6.019 6.823 153 HZ PHE 24 HZ PHE 24 -0.643 5.483 7.960 154 H GLY 25 H GLY 25 -2.141 11.803 2.728 155 HA2 GLY 25 1HA GLY 25 -1.729 13.434 1.138 156 HA3 GLY 25 2HA GLY 25 -0.010 13.273 1.470 157 H PHE 26 H PHE 26 -2.203 10.683 0.507 158 HA PHE 26 HA PHE 26 -1.201 10.698 -2.212 159 HB2 PHE 26 1HB PHE 26 -0.003 8.726 -2.176 160 HB3 PHE 26 2HB PHE 26 0.387 9.366 -0.583 161 HD1 PHE 26 2HD PHE 26 -2.192 7.224 -2.221 162 HD2 PHE 26 1HD PHE 26 0.227 7.943 1.206 163 HE1 PHE 26 2HE PHE 26 -3.046 5.160 -1.189 164 HE2 PHE 26 1HE PHE 26 -0.623 5.880 2.243 165 HZ PHE 26 HZ PHE 26 -2.262 4.486 1.046 166 H SER 27 H SER 27 -2.522 9.623 -3.644 167 HA SER 27 HA SER 27 -4.982 8.481 -2.490 168 HB2 SER 27 1HB SER 27 -5.238 10.650 -3.748 169 HB3 SER 27 2HB SER 27 -4.716 9.796 -5.201 170 HG SER 27 HG SER 27 -7.013 9.270 -3.622 171 H ILE 28 H ILE 28 -6.135 7.023 -4.159 172 HA ILE 28 HA ILE 28 -4.200 5.407 -5.661 173 HB ILE 28 HB ILE 28 -5.817 3.448 -4.761 174 HG12 ILE 28 1HG1 ILE 28 -5.409 5.131 -2.300 175 HG13 ILE 28 2HG1 ILE 28 -6.884 5.257 -3.252 176 HG21 ILE 28 1HG2 ILE 28 -3.296 3.645 -4.767 177 HG22 ILE 28 2HG2 ILE 28 -3.440 4.371 -3.167 178 HG23 ILE 28 3HG2 ILE 28 -3.997 2.720 -3.439 179 HD11 ILE 28 1HD1 ILE 28 -7.140 2.767 -2.945 180 HD12 ILE 28 2HD1 ILE 28 -5.844 2.878 -1.753 181 HD13 ILE 28 3HD1 ILE 28 -7.350 3.760 -1.504 182 H ARG 29 H ARG 29 -5.393 3.723 -7.025 183 HA ARG 29 HA ARG 29 -8.078 4.487 -7.818 184 HB2 ARG 29 1HB ARG 29 -7.587 5.046 -10.059 185 HB3 ARG 29 2HB ARG 29 -6.436 5.956 -9.090 186 HG2 ARG 29 1HG ARG 29 -4.647 4.689 -9.774 187 HG3 ARG 29 2HG ARG 29 -5.650 3.287 -10.154 188 HD2 ARG 29 1HD ARG 29 -5.040 4.104 -12.246 189 HD3 ARG 29 2HD ARG 29 -6.655 4.767 -11.998 190 HE ARG 29 HE ARG 29 -4.494 6.493 -11.168 191 HH11 ARG 29 2HH1 ARG 29 -6.623 5.550 -13.756 192 HH12 ARG 29 1HH1 ARG 29 -6.459 7.048 -14.612 193 HH21 ARG 29 2HH2 ARG 29 -4.269 8.469 -12.286 194 HH22 ARG 29 1HH2 ARG 29 -5.118 8.707 -13.775 195 H GLY 30 H GLY 30 -8.832 3.038 -9.682 196 HA2 GLY 30 1HA GLY 30 -9.100 0.944 -10.612 197 HA3 GLY 30 2HA GLY 30 -7.466 0.558 -10.092 198 H GLY 31 H GLY 31 -8.688 -1.556 -9.760 199 HA2 GLY 31 1HA GLY 31 -8.708 -2.693 -7.488 200 HA3 GLY 31 2HA GLY 31 -10.000 -1.561 -7.116 201 H ARG 32 H ARG 32 -10.575 -4.138 -6.771 202 HA ARG 32 HA ARG 32 -11.447 -5.686 -8.873 203 HB2 ARG 32 1HB ARG 32 -12.267 -5.395 -6.028 204 HB3 ARG 32 2HB ARG 32 -13.341 -6.297 -7.090 205 HG2 ARG 32 1HG ARG 32 -10.413 -6.892 -6.720 206 HG3 ARG 32 2HG ARG 32 -11.724 -7.714 -5.871 207 HD2 ARG 32 1HD ARG 32 -12.656 -8.370 -8.087 208 HD3 ARG 32 2HD ARG 32 -11.220 -7.680 -8.842 209 HE ARG 32 HE ARG 32 -10.158 -9.411 -7.089 210 HH11 ARG 32 2HH1 ARG 32 -12.694 -9.743 -9.451 211 HH12 ARG 32 1HH1 ARG 32 -12.385 -11.423 -9.739 212 HH21 ARG 32 2HH2 ARG 32 -9.741 -11.623 -7.459 213 HH22 ARG 32 1HH2 ARG 32 -10.705 -12.492 -8.605 214 H GLU 33 H GLU 33 -12.847 -2.780 -7.589 215 HA GLU 33 HA GLU 33 -15.463 -3.043 -8.584 216 HB2 GLU 33 1HB GLU 33 -14.380 -1.267 -6.978 217 HB3 GLU 33 2HB GLU 33 -14.110 -0.376 -8.469 218 HG2 GLU 33 1HG GLU 33 -16.670 -0.916 -8.833 219 HG3 GLU 33 2HG GLU 33 -16.645 -1.024 -7.074 220 H TYR 34 H TYR 34 -12.469 -2.033 -10.087 221 HA TYR 34 HA TYR 34 -13.920 -1.615 -12.617 222 HB2 TYR 34 1HB TYR 34 -11.145 -0.584 -12.112 223 HB3 TYR 34 2HB TYR 34 -12.341 -0.016 -13.271 224 HD1 TYR 34 1HD TYR 34 -14.369 1.224 -12.404 225 HD2 TYR 34 2HD TYR 34 -10.985 0.378 -9.968 226 HE1 TYR 34 1HE TYR 34 -15.077 2.971 -10.824 227 HE2 TYR 34 2HE TYR 34 -11.684 2.121 -8.381 228 HH TYR 34 HH TYR 34 -13.388 3.483 -7.774 229 H LYS 35 H LYS 35 -12.516 -4.011 -11.169 230 HA LYS 35 HA LYS 35 -11.344 -5.870 -11.761 231 HB2 LYS 35 1HB LYS 35 -12.157 -4.979 -14.534 232 HB3 LYS 35 2HB LYS 35 -11.533 -6.572 -14.127 233 HG2 LYS 35 1HG LYS 35 -13.754 -7.029 -14.097 234 HG3 LYS 35 2HG LYS 35 -13.552 -6.525 -12.418 235 HD2 LYS 35 1HD LYS 35 -14.380 -4.332 -12.909 236 HD3 LYS 35 2HD LYS 35 -14.385 -4.668 -14.642 237 HE2 LYS 35 1HE LYS 35 -16.009 -6.297 -12.713 238 HE3 LYS 35 2HE LYS 35 -16.618 -4.784 -13.384 239 HZ1 LYS 35 1HZ LYS 35 -16.309 -7.364 -14.641 240 HZ2 LYS 35 2HZ LYS 35 -15.761 -6.070 -15.581 241 HZ3 LYS 35 3HZ LYS 35 -17.357 -6.092 -15.022 242 H MET 36 H MET 36 -9.625 -3.976 -11.127 243 HA MET 36 HA MET 36 -7.368 -4.537 -12.827 244 HB2 MET 36 1HB MET 36 -6.761 -2.178 -13.189 245 HB3 MET 36 2HB MET 36 -8.276 -2.595 -13.978 246 HG2 MET 36 1HG MET 36 -9.359 -1.670 -11.810 247 HG3 MET 36 2HG MET 36 -7.799 -0.881 -11.584 248 HE1 MET 36 1HE MET 36 -8.475 1.983 -12.202 249 HE2 MET 36 2HE MET 36 -7.057 0.954 -12.406 250 HE3 MET 36 3HE MET 36 -7.625 1.949 -13.747 251 H ASP 37 H ASP 37 -5.331 -3.681 -11.892 252 HA ASP 37 HA ASP 37 -5.227 -4.197 -9.109 253 HB2 ASP 37 1HB ASP 37 -3.005 -2.781 -10.533 254 HB3 ASP 37 2HB ASP 37 -2.919 -4.043 -9.308 255 H LEU 38 H LEU 38 -4.009 -2.630 -7.612 256 HA LEU 38 HA LEU 38 -5.423 -0.070 -7.719 257 HB2 LEU 38 1HB LEU 38 -4.007 -1.514 -5.490 258 HB3 LEU 38 2HB LEU 38 -4.661 0.114 -5.332 259 HG LEU 38 HG LEU 38 -6.502 -2.049 -6.213 260 HD11 LEU 38 1HD1 LEU 38 -4.934 -2.370 -3.916 261 HD12 LEU 38 2HD1 LEU 38 -6.382 -3.269 -4.367 262 HD13 LEU 38 3HD1 LEU 38 -6.517 -1.833 -3.353 263 HD21 LEU 38 1HD2 LEU 38 -6.972 0.487 -5.885 264 HD22 LEU 38 2HD2 LEU 38 -7.024 0.071 -4.171 265 HD23 LEU 38 3HD2 LEU 38 -8.139 -0.700 -5.301 266 H TYR 39 H TYR 39 -4.382 1.646 -8.461 267 HA TYR 39 HA TYR 39 -1.463 1.793 -8.086 268 HB2 TYR 39 1HB TYR 39 -2.852 3.260 -10.297 269 HB3 TYR 39 2HB TYR 39 -1.181 2.718 -10.200 270 HD1 TYR 39 1HD TYR 39 -4.666 1.450 -10.529 271 HD2 TYR 39 2HD TYR 39 -0.532 0.726 -11.231 272 HE1 TYR 39 1HE TYR 39 -5.245 -0.546 -11.844 273 HE2 TYR 39 2HE TYR 39 -1.100 -1.272 -12.549 274 HH TYR 39 HH TYR 39 -4.479 -2.279 -12.996 275 H VAL 40 H VAL 40 -0.604 4.037 -8.047 276 HA VAL 40 HA VAL 40 -2.122 5.617 -6.182 277 HB VAL 40 HB VAL 40 0.545 6.198 -7.479 278 HG11 VAL 40 1HG1 VAL 40 -1.142 7.678 -5.571 279 HG12 VAL 40 2HG1 VAL 40 0.567 7.554 -5.147 280 HG13 VAL 40 3HG1 VAL 40 0.089 8.261 -6.691 281 HG21 VAL 40 1HG2 VAL 40 0.722 4.196 -6.193 282 HG22 VAL 40 2HG2 VAL 40 1.438 5.499 -5.245 283 HG23 VAL 40 3HG2 VAL 40 -0.176 4.908 -4.853 284 H LEU 41 H LEU 41 -3.697 6.911 -6.861 285 HA LEU 41 HA LEU 41 -4.034 7.830 -9.488 286 HB2 LEU 41 1HB LEU 41 -5.767 7.638 -7.647 287 HB3 LEU 41 2HB LEU 41 -5.146 9.171 -7.037 288 HG LEU 41 HG LEU 41 -7.209 9.411 -8.373 289 HD11 LEU 41 1HD1 LEU 41 -6.549 11.370 -9.380 290 HD12 LEU 41 2HD1 LEU 41 -5.025 10.692 -9.950 291 HD13 LEU 41 3HD1 LEU 41 -5.225 11.100 -8.246 292 HD21 LEU 41 1HD2 LEU 41 -7.487 8.391 -10.324 293 HD22 LEU 41 2HD2 LEU 41 -5.927 7.603 -10.089 294 HD23 LEU 41 3HD2 LEU 41 -6.022 9.128 -10.972 295 H ARG 42 H ARG 42 -3.082 9.687 -6.592 296 HA ARG 42 HA ARG 42 -1.180 11.219 -8.116 297 HB2 ARG 42 1HB ARG 42 -2.800 12.694 -8.765 298 HB3 ARG 42 2HB ARG 42 -3.841 12.318 -7.398 299 HG2 ARG 42 1HG ARG 42 -1.294 13.771 -6.900 300 HG3 ARG 42 2HG ARG 42 -2.656 14.645 -7.603 301 HD2 ARG 42 1HD ARG 42 -2.880 12.990 -5.099 302 HD3 ARG 42 2HD ARG 42 -2.473 14.705 -5.082 303 HE ARG 42 HE ARG 42 -5.055 13.579 -5.422 304 HH11 ARG 42 2HH1 ARG 42 -3.034 16.222 -6.449 305 HH12 ARG 42 1HH1 ARG 42 -4.365 17.280 -6.783 306 HH21 ARG 42 2HH2 ARG 42 -6.814 14.963 -5.858 307 HH22 ARG 42 1HH2 ARG 42 -6.514 16.564 -6.445 308 H LEU 43 H LEU 43 0.245 12.414 -6.813 309 HA LEU 43 HA LEU 43 0.174 11.640 -3.986 310 HB2 LEU 43 1HB LEU 43 2.309 12.231 -5.944 311 HB3 LEU 43 2HB LEU 43 2.611 12.719 -4.278 312 HG LEU 43 HG LEU 43 2.016 9.919 -5.233 313 HD11 LEU 43 1HD1 LEU 43 4.411 9.706 -4.160 314 HD12 LEU 43 2HD1 LEU 43 4.508 11.411 -4.599 315 HD13 LEU 43 3HD1 LEU 43 4.199 10.198 -5.841 316 HD21 LEU 43 1HD2 LEU 43 1.097 10.135 -3.059 317 HD22 LEU 43 2HD2 LEU 43 2.487 11.058 -2.487 318 HD23 LEU 43 3HD2 LEU 43 2.662 9.344 -2.866 319 H ALA 44 H ALA 44 0.595 13.159 -2.334 320 HA ALA 44 HA ALA 44 -0.434 15.806 -2.927 321 HB1 ALA 44 1HB ALA 44 -0.492 16.109 -0.510 322 HB2 ALA 44 2HB ALA 44 -1.267 14.594 -0.974 323 HB3 ALA 44 3HB ALA 44 0.357 14.579 -0.288 324 H GLU 45 H GLU 45 0.869 17.410 -3.495 325 HA GLU 45 HA GLU 45 3.676 17.304 -3.344 326 HB2 GLU 45 1HB GLU 45 3.611 19.669 -4.022 327 HB3 GLU 45 2HB GLU 45 2.536 18.677 -4.996 328 HG2 GLU 45 1HG GLU 45 0.624 19.452 -3.721 329 HG3 GLU 45 2HG GLU 45 1.684 20.405 -2.684 330 H ASP 46 H ASP 46 1.286 18.278 -1.067 331 HA ASP 46 HA ASP 46 3.373 19.431 0.664 332 HB2 ASP 46 1HB ASP 46 1.376 20.880 -0.026 333 HB3 ASP 46 2HB ASP 46 0.408 19.842 1.017 334 H GLY 47 H GLY 47 2.296 16.569 0.182 335 HA2 GLY 47 1HA GLY 47 1.504 15.954 2.949 336 HA3 GLY 47 2HA GLY 47 1.265 14.900 1.563 337 HA PRO 48 HA PRO 48 5.204 13.866 4.012 338 HB2 PRO 48 1HB PRO 48 4.329 11.579 5.184 339 HB3 PRO 48 2HB PRO 48 4.174 13.168 5.943 340 HG2 PRO 48 1HG PRO 48 2.132 11.581 4.435 341 HG3 PRO 48 2HG PRO 48 1.947 12.500 5.941 342 HD2 PRO 48 1HD PRO 48 1.153 13.465 3.538 343 HD3 PRO 48 2HD PRO 48 1.758 14.514 4.836 344 H ALA 49 H ALA 49 2.876 12.004 2.152 345 HA ALA 49 HA ALA 49 4.446 9.789 1.502 346 HB1 ALA 49 1HB ALA 49 2.899 9.342 -0.220 347 HB2 ALA 49 2HB ALA 49 1.976 10.137 1.056 348 HB3 ALA 49 3HB ALA 49 2.462 11.044 -0.376 349 H ILE 50 H ILE 50 3.857 12.664 -0.536 350 HA ILE 50 HA ILE 50 5.697 12.102 -2.522 351 HB ILE 50 HB ILE 50 3.960 14.051 -2.289 352 HG12 ILE 50 1HG1 ILE 50 6.521 14.768 -3.689 353 HG13 ILE 50 2HG1 ILE 50 5.566 13.389 -4.224 354 HG21 ILE 50 1HG2 ILE 50 6.421 15.632 -1.660 355 HG22 ILE 50 2HG2 ILE 50 4.728 16.110 -1.549 356 HG23 ILE 50 3HG2 ILE 50 5.409 14.995 -0.365 357 HD11 ILE 50 1HD1 ILE 50 5.147 16.218 -4.653 358 HD12 ILE 50 2HD1 ILE 50 4.456 14.829 -5.491 359 HD13 ILE 50 3HD1 ILE 50 3.714 15.420 -4.005 360 H ARG 51 H ARG 51 6.281 12.948 0.724 361 HA ARG 51 HA ARG 51 8.955 13.976 0.221 362 HB2 ARG 51 1HB ARG 51 7.311 13.584 2.714 363 HB3 ARG 51 2HB ARG 51 9.016 14.007 2.785 364 HG2 ARG 51 1HG ARG 51 8.632 16.078 1.684 365 HG3 ARG 51 2HG ARG 51 6.970 15.629 1.295 366 HD2 ARG 51 1HD ARG 51 6.621 16.967 3.122 367 HD3 ARG 51 2HD ARG 51 6.766 15.392 3.903 368 HE ARG 51 HE ARG 51 8.638 17.596 4.053 369 HH11 ARG 51 2HH1 ARG 51 8.072 14.202 4.582 370 HH12 ARG 51 1HH1 ARG 51 9.360 14.033 5.729 371 HH21 ARG 51 2HH2 ARG 51 10.336 17.386 5.562 372 HH22 ARG 51 1HH2 ARG 51 10.646 15.845 6.286 373 H ASN 52 H ASN 52 7.376 11.029 1.157 374 HA ASN 52 HA ASN 52 9.538 9.703 2.367 375 HB2 ASN 52 1HB ASN 52 7.672 8.464 2.736 376 HB3 ASN 52 2HB ASN 52 6.934 8.935 1.208 377 HD21 ASN 52 1HD2 ASN 52 6.549 7.244 -0.006 378 HD22 ASN 52 2HD2 ASN 52 7.569 5.862 -0.190 379 H GLY 53 H GLY 53 8.310 9.382 -0.973 380 HA2 GLY 53 1HA GLY 53 9.717 9.401 -2.893 381 HA3 GLY 53 2HA GLY 53 11.074 8.959 -1.867 382 H ARG 54 H ARG 54 10.352 6.754 -0.588 383 HA ARG 54 HA ARG 54 10.821 4.655 -2.188 384 HB2 ARG 54 1HB ARG 54 9.070 4.827 0.250 385 HB3 ARG 54 2HB ARG 54 9.334 3.294 -0.569 386 HG2 ARG 54 1HG ARG 54 11.644 4.985 0.301 387 HG3 ARG 54 2HG ARG 54 10.826 3.903 1.430 388 HD2 ARG 54 1HD ARG 54 12.452 2.500 0.649 389 HD3 ARG 54 2HD ARG 54 11.173 2.163 -0.517 390 HE ARG 54 HE ARG 54 12.495 3.054 -2.150 391 HH11 ARG 54 2HH1 ARG 54 13.659 4.135 0.948 392 HH12 ARG 54 1HH1 ARG 54 15.067 4.905 0.296 393 HH21 ARG 54 2HH2 ARG 54 14.345 4.065 -3.021 394 HH22 ARG 54 1HH2 ARG 54 15.456 4.866 -1.962 395 H MET 55 H MET 55 7.769 6.327 -1.902 396 HA MET 55 HA MET 55 6.701 4.628 -4.056 397 HB2 MET 55 1HB MET 55 4.647 4.412 -3.049 398 HB3 MET 55 2HB MET 55 5.686 4.432 -1.631 399 HG2 MET 55 1HG MET 55 5.177 6.728 -1.208 400 HG3 MET 55 2HG MET 55 4.301 6.863 -2.731 401 HE1 MET 55 1HE MET 55 1.670 7.563 -1.706 402 HE2 MET 55 2HE MET 55 2.147 6.599 -3.104 403 HE3 MET 55 3HE MET 55 0.870 6.025 -2.030 404 H ARG 56 H ARG 56 5.670 5.655 -5.718 405 HA ARG 56 HA ARG 56 5.301 8.559 -5.524 406 HB2 ARG 56 1HB ARG 56 7.064 7.073 -7.394 407 HB3 ARG 56 2HB ARG 56 6.128 8.398 -8.072 408 HG2 ARG 56 1HG ARG 56 8.126 9.403 -7.480 409 HG3 ARG 56 2HG ARG 56 7.069 9.781 -6.118 410 HD2 ARG 56 1HD ARG 56 8.169 8.366 -4.694 411 HD3 ARG 56 2HD ARG 56 8.690 7.293 -5.992 412 HE ARG 56 HE ARG 56 10.618 8.499 -6.130 413 HH11 ARG 56 2HH1 ARG 56 8.191 10.465 -4.594 414 HH12 ARG 56 1HH1 ARG 56 9.278 11.771 -4.252 415 HH21 ARG 56 2HH2 ARG 56 12.059 10.210 -5.687 416 HH22 ARG 56 1HH2 ARG 56 11.478 11.625 -4.876 417 H VAL 57 H VAL 57 4.100 9.369 -7.552 418 HA VAL 57 HA VAL 57 1.693 7.802 -7.784 419 HB VAL 57 HB VAL 57 1.108 10.012 -7.689 420 HG11 VAL 57 1HG1 VAL 57 3.653 10.513 -9.179 421 HG12 VAL 57 2HG1 VAL 57 2.402 11.756 -9.111 422 HG13 VAL 57 3HG1 VAL 57 3.124 11.147 -7.621 423 HG21 VAL 57 1HG2 VAL 57 0.097 10.560 -9.686 424 HG22 VAL 57 2HG2 VAL 57 1.478 10.043 -10.652 425 HG23 VAL 57 3HG2 VAL 57 0.415 8.841 -9.920 426 H GLY 58 H GLY 58 1.138 6.474 -9.392 427 HA2 GLY 58 1HA GLY 58 1.008 6.074 -11.799 428 HA3 GLY 58 2HA GLY 58 2.671 6.631 -11.912 429 H ASP 59 H ASP 59 2.449 4.835 -9.156 430 HA ASP 59 HA ASP 59 3.677 2.540 -10.474 431 HB2 ASP 59 1HB ASP 59 3.466 3.299 -7.554 432 HB3 ASP 59 2HB ASP 59 4.278 1.854 -8.150 433 H GLN 60 H GLN 60 3.163 0.352 -9.423 434 HA GLN 60 HA GLN 60 0.236 0.113 -9.205 435 HB2 GLN 60 1HB GLN 60 1.366 -0.946 -11.201 436 HB3 GLN 60 2HB GLN 60 2.156 -2.046 -10.078 437 HG2 GLN 60 1HG GLN 60 -0.802 -1.807 -9.971 438 HG3 GLN 60 2HG GLN 60 -0.075 -2.692 -11.310 439 HE21 GLN 60 1HE2 GLN 60 -1.379 -3.044 -8.353 440 HE22 GLN 60 2HE2 GLN 60 -0.598 -4.498 -7.845 441 H ILE 61 H ILE 61 -0.425 -0.265 -7.203 442 HA ILE 61 HA ILE 61 1.357 -1.385 -5.223 443 HB ILE 61 HB ILE 61 -1.554 -0.639 -4.928 444 HG12 ILE 61 1HG1 ILE 61 0.761 1.040 -4.010 445 HG13 ILE 61 2HG1 ILE 61 0.164 1.175 -5.660 446 HG21 ILE 61 1HG2 ILE 61 -0.895 -2.088 -3.160 447 HG22 ILE 61 2HG2 ILE 61 0.623 -1.220 -2.932 448 HG23 ILE 61 3HG2 ILE 61 -0.906 -0.448 -2.512 449 HD11 ILE 61 1HD1 ILE 61 -1.643 1.463 -3.287 450 HD12 ILE 61 2HD1 ILE 61 -0.738 2.820 -3.959 451 HD13 ILE 61 3HD1 ILE 61 -1.921 1.970 -4.953 452 H ILE 62 H ILE 62 1.493 -3.457 -4.681 453 HA ILE 62 HA ILE 62 -0.552 -5.305 -5.694 454 HB ILE 62 HB ILE 62 1.361 -6.980 -4.868 455 HG12 ILE 62 1HG1 ILE 62 2.717 -4.956 -4.101 456 HG13 ILE 62 2HG1 ILE 62 3.555 -6.126 -5.115 457 HG21 ILE 62 1HG2 ILE 62 2.342 -6.584 -7.283 458 HG22 ILE 62 2HG2 ILE 62 0.725 -7.247 -7.046 459 HG23 ILE 62 3HG2 ILE 62 0.929 -5.539 -7.432 460 HD11 ILE 62 1HD1 ILE 62 2.397 -4.209 -6.830 461 HD12 ILE 62 2HD1 ILE 62 3.201 -3.340 -5.522 462 HD13 ILE 62 3HD1 ILE 62 4.105 -4.498 -6.498 463 H GLU 63 H GLU 63 0.844 -4.035 -2.801 464 HA GLU 63 HA GLU 63 -0.992 -5.691 -1.224 465 HB2 GLU 63 1HB GLU 63 1.424 -6.547 -1.168 466 HB3 GLU 63 2HB GLU 63 1.797 -5.089 -0.259 467 HG2 GLU 63 1HG GLU 63 0.503 -5.744 1.562 468 HG3 GLU 63 2HG GLU 63 -0.380 -6.945 0.620 469 H ILE 64 H ILE 64 -1.605 -4.764 0.808 470 HA ILE 64 HA ILE 64 -0.895 -1.958 1.225 471 HB ILE 64 HB ILE 64 -3.722 -2.954 0.880 472 HG12 ILE 64 1HG1 ILE 64 -2.313 -0.656 -0.482 473 HG13 ILE 64 2HG1 ILE 64 -2.355 -2.284 -1.148 474 HG21 ILE 64 1HG2 ILE 64 -3.600 -0.146 1.339 475 HG22 ILE 64 2HG2 ILE 64 -4.445 -1.383 2.268 476 HG23 ILE 64 3HG2 ILE 64 -2.776 -0.972 2.661 477 HD11 ILE 64 1HD1 ILE 64 -4.137 -0.352 -1.733 478 HD12 ILE 64 2HD1 ILE 64 -4.477 -2.080 -1.837 479 HD13 ILE 64 3HD1 ILE 64 -4.966 -1.169 -0.408 480 H ASN 65 H ASN 65 -0.226 -1.837 3.256 481 HA ASN 65 HA ASN 65 -0.022 -2.176 5.497 482 HB2 ASN 65 1HB ASN 65 -2.958 -2.295 5.006 483 HB3 ASN 65 2HB ASN 65 -2.374 -2.798 6.589 484 HD21 ASN 65 1HD2 ASN 65 -4.031 -0.629 6.281 485 HD22 ASN 65 2HD2 ASN 65 -3.161 0.815 6.660 486 H GLY 66 H GLY 66 0.290 -4.462 3.642 487 HA2 GLY 66 1HA GLY 66 1.031 -6.631 4.033 488 HA3 GLY 66 2HA GLY 66 0.398 -6.523 5.669 489 H GLU 67 H GLU 67 -1.480 -5.851 2.779 490 HA GLU 67 HA GLU 67 -2.897 -8.401 3.117 491 HB2 GLU 67 1HB GLU 67 -4.205 -5.687 2.856 492 HB3 GLU 67 2HB GLU 67 -5.055 -7.226 2.817 493 HG2 GLU 67 1HG GLU 67 -3.336 -6.624 5.162 494 HG3 GLU 67 2HG GLU 67 -4.884 -5.794 5.016 495 H SER 68 H SER 68 -3.343 -9.420 1.261 496 HA SER 68 HA SER 68 -2.230 -8.616 -1.165 497 HB2 SER 68 1HB SER 68 -4.307 -10.670 -0.447 498 HB3 SER 68 2HB SER 68 -3.854 -10.394 -2.129 499 HG SER 68 HG SER 68 -1.904 -10.862 -0.144 500 H THR 69 H THR 69 -2.788 -6.744 -2.102 501 HA THR 69 HA THR 69 -5.179 -5.392 -1.985 502 HB THR 69 HB THR 69 -4.523 -4.315 -4.148 503 HG1 THR 69 1HG THR 69 -2.437 -4.971 -4.974 504 HG21 THR 69 1HG2 THR 69 -3.071 -2.992 -3.047 505 HG22 THR 69 2HG2 THR 69 -1.982 -4.329 -2.680 506 HG23 THR 69 3HG2 THR 69 -3.403 -4.047 -1.675 507 H ARG 70 H ARG 70 -4.500 -8.297 -3.648 508 HA ARG 70 HA ARG 70 -6.397 -8.109 -5.741 509 HB2 ARG 70 1HB ARG 70 -4.465 -9.783 -5.464 510 HB3 ARG 70 2HB ARG 70 -5.563 -10.684 -4.426 511 HG2 ARG 70 1HG ARG 70 -7.191 -10.580 -6.414 512 HG3 ARG 70 2HG ARG 70 -5.766 -10.145 -7.361 513 HD2 ARG 70 1HD ARG 70 -4.652 -12.197 -6.592 514 HD3 ARG 70 2HD ARG 70 -6.102 -12.633 -5.688 515 HE ARG 70 HE ARG 70 -6.550 -12.183 -8.498 516 HH11 ARG 70 2HH1 ARG 70 -5.685 -14.507 -6.054 517 HH12 ARG 70 1HH1 ARG 70 -6.181 -15.875 -6.994 518 HH21 ARG 70 2HH2 ARG 70 -7.206 -13.976 -9.745 519 HH22 ARG 70 1HH2 ARG 70 -7.045 -15.572 -9.094 520 H ASP 71 H ASP 71 -8.512 -8.754 -5.875 521 HA ASP 71 HA ASP 71 -10.612 -9.348 -5.211 522 HB2 ASP 71 1HB ASP 71 -9.483 -10.355 -2.607 523 HB3 ASP 71 2HB ASP 71 -10.931 -10.893 -3.454 524 H MET 72 H MET 72 -9.258 -6.801 -4.507 525 HA MET 72 HA MET 72 -11.091 -5.986 -2.353 526 HB2 MET 72 1HB MET 72 -8.401 -4.706 -2.783 527 HB3 MET 72 2HB MET 72 -9.465 -4.565 -1.390 528 HG2 MET 72 1HG MET 72 -9.047 -7.159 -1.238 529 HG3 MET 72 2HG MET 72 -7.591 -6.742 -2.139 530 HE1 MET 72 1HE MET 72 -6.120 -3.950 0.212 531 HE2 MET 72 2HE MET 72 -6.697 -4.209 -1.435 532 HE3 MET 72 3HE MET 72 -7.766 -3.494 -0.227 533 H THR 73 H THR 73 -12.087 -3.995 -2.577 534 HA THR 73 HA THR 73 -12.017 -2.893 -5.287 535 HB THR 73 HB THR 73 -14.105 -1.686 -4.577 536 HG1 THR 73 1HG THR 73 -15.024 -2.209 -2.626 537 HG21 THR 73 1HG2 THR 73 -15.357 -4.036 -4.223 538 HG22 THR 73 2HG2 THR 73 -13.797 -4.620 -4.805 539 HG23 THR 73 3HG2 THR 73 -14.742 -3.499 -5.785 540 H HIS 74 H HIS 74 -11.800 -0.674 -5.690 541 HA HIS 74 HA HIS 74 -9.828 0.724 -4.495 542 HB2 HIS 74 1HB HIS 74 -11.155 1.346 -6.580 543 HB3 HIS 74 2HB HIS 74 -12.304 2.126 -5.498 544 HD1 HIS 74 1HD HIS 74 -11.450 4.236 -7.053 545 HD2 HIS 74 2HD HIS 74 -8.823 2.763 -4.191 546 HE1 HIS 74 1HE HIS 74 -9.755 6.058 -6.695 547 HE2 HIS 74 2HE HIS 74 -8.127 5.111 -5.022 548 H ALA 75 H ALA 75 -13.074 0.354 -3.309 549 HA ALA 75 HA ALA 75 -13.027 2.479 -1.422 550 HB1 ALA 75 1HB ALA 75 -14.699 0.129 -0.814 551 HB2 ALA 75 2HB ALA 75 -15.126 1.839 -0.900 552 HB3 ALA 75 3HB ALA 75 -14.978 0.891 -2.380 553 H ARG 76 H ARG 76 -12.504 -1.029 -1.106 554 HA ARG 76 HA ARG 76 -12.020 -1.139 1.619 555 HB2 ARG 76 1HB ARG 76 -12.247 -3.187 0.455 556 HB3 ARG 76 2HB ARG 76 -10.955 -2.783 -0.668 557 HG2 ARG 76 1HG ARG 76 -10.294 -4.488 0.969 558 HG3 ARG 76 2HG ARG 76 -9.306 -3.030 1.074 559 HD2 ARG 76 1HD ARG 76 -10.189 -2.412 3.097 560 HD3 ARG 76 2HD ARG 76 -11.718 -3.240 2.803 561 HE ARG 76 HE ARG 76 -9.455 -4.997 3.109 562 HH11 ARG 76 2HH1 ARG 76 -12.011 -3.276 4.729 563 HH12 ARG 76 1HH1 ARG 76 -12.020 -4.324 6.108 564 HH21 ARG 76 2HH2 ARG 76 -9.456 -6.384 4.920 565 HH22 ARG 76 1HH2 ARG 76 -10.566 -6.091 6.216 566 H ALA 77 H ALA 77 -9.543 -0.967 -0.947 567 HA ALA 77 HA ALA 77 -7.302 -0.680 0.607 568 HB1 ALA 77 1HB ALA 77 -7.505 -0.836 -1.939 569 HB2 ALA 77 2HB ALA 77 -7.649 0.922 -1.906 570 HB3 ALA 77 3HB ALA 77 -6.195 0.144 -1.280 571 H ILE 78 H ILE 78 -9.701 1.752 -0.201 572 HA ILE 78 HA ILE 78 -8.236 3.990 0.754 573 HB ILE 78 HB ILE 78 -11.191 3.580 0.315 574 HG12 ILE 78 1HG1 ILE 78 -9.411 3.698 -1.597 575 HG13 ILE 78 2HG1 ILE 78 -10.901 4.625 -1.739 576 HG21 ILE 78 1HG2 ILE 78 -9.693 6.025 1.218 577 HG22 ILE 78 2HG2 ILE 78 -11.283 6.103 0.460 578 HG23 ILE 78 3HG2 ILE 78 -11.075 5.244 1.986 579 HD11 ILE 78 1HD1 ILE 78 -8.549 5.938 -0.497 580 HD12 ILE 78 2HD1 ILE 78 -8.554 5.692 -2.243 581 HD13 ILE 78 3HD1 ILE 78 -9.844 6.622 -1.480 582 H GLU 79 H GLU 79 -10.217 1.575 2.277 583 HA GLU 79 HA GLU 79 -10.439 3.080 4.753 584 HB2 GLU 79 1HB GLU 79 -12.075 1.627 5.341 585 HB3 GLU 79 2HB GLU 79 -12.097 1.285 3.617 586 HG2 GLU 79 1HG GLU 79 -10.668 -0.640 3.949 587 HG3 GLU 79 2HG GLU 79 -10.547 -0.277 5.670 588 H LEU 80 H LEU 80 -8.415 0.681 3.326 589 HA LEU 80 HA LEU 80 -7.368 -0.422 5.735 590 HB2 LEU 80 1HB LEU 80 -6.314 -0.372 2.915 591 HB3 LEU 80 2HB LEU 80 -5.539 -1.246 4.234 592 HG LEU 80 HG LEU 80 -8.294 -1.787 3.126 593 HD11 LEU 80 1HD1 LEU 80 -6.499 -2.453 1.610 594 HD12 LEU 80 2HD1 LEU 80 -7.311 -3.857 2.300 595 HD13 LEU 80 3HD1 LEU 80 -5.732 -3.363 2.911 596 HD21 LEU 80 1HD2 LEU 80 -6.717 -3.254 5.239 597 HD22 LEU 80 2HD2 LEU 80 -8.288 -3.728 4.592 598 HD23 LEU 80 3HD2 LEU 80 -8.132 -2.242 5.530 599 H ILE 81 H ILE 81 -6.305 2.135 3.530 600 HA ILE 81 HA ILE 81 -3.826 2.683 4.680 601 HB ILE 81 HB ILE 81 -5.693 4.705 3.439 602 HG12 ILE 81 1HG1 ILE 81 -3.509 3.243 1.982 603 HG13 ILE 81 2HG1 ILE 81 -5.114 2.535 2.128 604 HG21 ILE 81 1HG2 ILE 81 -3.938 6.146 3.283 605 HG22 ILE 81 2HG2 ILE 81 -3.463 5.289 4.748 606 HG23 ILE 81 3HG2 ILE 81 -2.740 4.854 3.200 607 HD11 ILE 81 1HD1 ILE 81 -4.959 5.323 1.160 608 HD12 ILE 81 2HD1 ILE 81 -4.393 4.051 0.076 609 HD13 ILE 81 3HD1 ILE 81 -6.044 4.014 0.694 610 H LYS 82 H LYS 82 -7.052 3.624 5.654 611 HA LYS 82 HA LYS 82 -5.983 5.339 7.771 612 HB2 LYS 82 1HB LYS 82 -8.609 5.568 8.137 613 HB3 LYS 82 2HB LYS 82 -7.754 6.502 6.916 614 HG2 LYS 82 1HG LYS 82 -8.400 4.883 5.212 615 HG3 LYS 82 2HG LYS 82 -9.245 3.929 6.434 616 HD2 LYS 82 1HD LYS 82 -10.969 5.162 5.511 617 HD3 LYS 82 2HD LYS 82 -10.518 6.152 6.900 618 HE2 LYS 82 1HE LYS 82 -8.926 7.319 5.203 619 HE3 LYS 82 2HE LYS 82 -9.990 6.606 3.991 620 HZ1 LYS 82 1HZ LYS 82 -11.726 7.919 4.607 621 HZ2 LYS 82 2HZ LYS 82 -10.457 8.968 4.990 622 HZ3 LYS 82 3HZ LYS 82 -11.212 8.074 6.211 623 H SER 83 H SER 83 -7.116 2.176 7.264 624 HA SER 83 HA SER 83 -8.186 1.694 9.870 625 HB2 SER 83 1HB SER 83 -8.882 0.294 8.014 626 HB3 SER 83 2HB SER 83 -7.217 -0.213 7.728 627 HG SER 83 HG SER 83 -8.984 -0.951 9.768 628 H GLY 84 H GLY 84 -5.022 1.460 8.391 629 HA2 GLY 84 1HA GLY 84 -3.797 -0.089 10.436 630 HA3 GLY 84 2HA GLY 84 -2.962 0.893 9.243 631 H GLY 85 H GLY 85 -4.103 3.398 9.905 632 HA2 GLY 85 1HA GLY 85 -4.353 4.597 12.128 633 HA3 GLY 85 2HA GLY 85 -2.827 3.824 12.533 634 H ARG 86 H ARG 86 -1.521 5.568 12.737 635 HA ARG 86 HA ARG 86 -1.556 7.700 10.791 636 HB2 ARG 86 1HB ARG 86 -0.238 7.184 13.389 637 HB3 ARG 86 2HB ARG 86 0.649 8.208 12.268 638 HG2 ARG 86 1HG ARG 86 -1.017 9.841 12.256 639 HG3 ARG 86 2HG ARG 86 -2.224 8.742 12.926 640 HD2 ARG 86 1HD ARG 86 0.208 9.306 14.539 641 HD3 ARG 86 2HD ARG 86 -1.012 10.572 14.410 642 HE ARG 86 HE ARG 86 -2.484 8.433 15.092 643 HH11 ARG 86 2HH1 ARG 86 0.451 9.765 16.407 644 HH12 ARG 86 1HH1 ARG 86 0.126 9.227 18.022 645 HH21 ARG 86 2HH2 ARG 86 -2.923 7.719 17.213 646 HH22 ARG 86 1HH2 ARG 86 -1.793 8.062 18.479 647 H ARG 87 H ARG 87 0.150 4.752 11.288 648 HA ARG 87 HA ARG 87 2.115 5.511 9.229 649 HB2 ARG 87 1HB ARG 87 2.329 3.254 11.228 650 HB3 ARG 87 2HB ARG 87 3.578 3.801 10.118 651 HG2 ARG 87 1HG ARG 87 3.714 5.928 11.292 652 HG3 ARG 87 2HG ARG 87 2.433 5.411 12.390 653 HD2 ARG 87 1HD ARG 87 4.685 5.157 13.364 654 HD3 ARG 87 2HD ARG 87 3.821 3.625 13.234 655 HE ARG 87 HE ARG 87 5.516 4.159 10.984 656 HH11 ARG 87 2HH1 ARG 87 5.403 2.892 14.225 657 HH12 ARG 87 1HH1 ARG 87 6.791 1.876 14.015 658 HH21 ARG 87 2HH2 ARG 87 7.344 2.826 10.696 659 HH22 ARG 87 1HH2 ARG 87 7.895 1.841 12.008 660 H VAL 88 H VAL 88 1.876 4.619 7.295 661 HA VAL 88 HA VAL 88 0.363 2.096 7.086 662 HB VAL 88 HB VAL 88 -0.879 3.980 6.123 663 HG11 VAL 88 1HG1 VAL 88 -0.029 5.501 4.691 664 HG12 VAL 88 2HG1 VAL 88 1.507 5.007 5.405 665 HG13 VAL 88 3HG1 VAL 88 0.986 4.318 3.867 666 HG21 VAL 88 1HG2 VAL 88 -1.358 2.990 3.975 667 HG22 VAL 88 2HG2 VAL 88 0.192 2.147 3.979 668 HG23 VAL 88 3HG2 VAL 88 -1.052 1.709 5.149 669 H ARG 89 H ARG 89 1.074 0.547 5.614 670 HA ARG 89 HA ARG 89 3.601 1.048 4.225 671 HB2 ARG 89 1HB ARG 89 4.394 0.080 6.241 672 HB3 ARG 89 2HB ARG 89 3.110 -1.121 6.257 673 HG2 ARG 89 1HG ARG 89 4.178 -1.940 4.047 674 HG3 ARG 89 2HG ARG 89 5.587 -1.028 4.592 675 HD2 ARG 89 1HD ARG 89 4.212 -3.029 6.358 676 HD3 ARG 89 2HD ARG 89 5.457 -3.510 5.207 677 HE ARG 89 HE ARG 89 6.410 -1.381 6.780 678 HH11 ARG 89 2HH1 ARG 89 5.603 -4.760 7.016 679 HH12 ARG 89 1HH1 ARG 89 6.729 -5.073 8.295 680 HH21 ARG 89 2HH2 ARG 89 7.897 -1.781 8.463 681 HH22 ARG 89 1HH2 ARG 89 8.033 -3.378 9.118 682 H LEU 90 H LEU 90 3.290 0.524 2.173 683 HA LEU 90 HA LEU 90 1.668 -1.853 1.554 684 HB2 LEU 90 1HB LEU 90 1.271 -0.399 -0.652 685 HB3 LEU 90 2HB LEU 90 0.195 -0.356 0.742 686 HG LEU 90 HG LEU 90 2.421 1.603 0.689 687 HD11 LEU 90 1HD1 LEU 90 0.482 1.361 -1.453 688 HD12 LEU 90 2HD1 LEU 90 1.906 2.393 -1.327 689 HD13 LEU 90 3HD1 LEU 90 0.375 2.915 -0.626 690 HD21 LEU 90 1HD2 LEU 90 -0.253 2.555 1.232 691 HD22 LEU 90 2HD2 LEU 90 1.181 2.575 2.259 692 HD23 LEU 90 3HD2 LEU 90 0.145 1.148 2.218 693 H LEU 91 H LEU 91 2.275 -3.031 -0.302 694 HA LEU 91 HA LEU 91 5.103 -2.823 -0.918 695 HB2 LEU 91 1HB LEU 91 3.840 -4.978 -0.391 696 HB3 LEU 91 2HB LEU 91 3.176 -4.847 -2.019 697 HG LEU 91 HG LEU 91 6.071 -5.221 -1.261 698 HD11 LEU 91 1HD1 LEU 91 5.747 -7.304 -2.635 699 HD12 LEU 91 2HD1 LEU 91 4.016 -6.977 -2.580 700 HD13 LEU 91 3HD1 LEU 91 4.904 -7.274 -1.086 701 HD21 LEU 91 1HD2 LEU 91 5.940 -3.729 -3.161 702 HD22 LEU 91 2HD2 LEU 91 4.815 -4.818 -3.974 703 HD23 LEU 91 3HD2 LEU 91 6.481 -5.323 -3.689 704 H LEU 92 H LEU 92 5.721 -1.505 -2.495 705 HA LEU 92 HA LEU 92 4.077 -1.381 -4.937 706 HB2 LEU 92 1HB LEU 92 4.295 0.700 -3.384 707 HB3 LEU 92 2HB LEU 92 5.892 0.846 -4.114 708 HG LEU 92 HG LEU 92 4.672 0.848 -6.360 709 HD11 LEU 92 1HD1 LEU 92 2.456 0.745 -6.441 710 HD12 LEU 92 2HD1 LEU 92 2.290 2.014 -5.229 711 HD13 LEU 92 3HD1 LEU 92 2.476 0.334 -4.726 712 HD21 LEU 92 1HD2 LEU 92 4.998 2.953 -4.369 713 HD22 LEU 92 2HD2 LEU 92 3.772 3.320 -5.583 714 HD23 LEU 92 3HD2 LEU 92 5.420 2.935 -6.081 715 H LYS 93 H LYS 93 5.193 -1.161 -6.930 716 HA LYS 93 HA LYS 93 8.079 -1.677 -6.859 717 HB2 LYS 93 1HB LYS 93 7.561 -3.294 -8.855 718 HB3 LYS 93 2HB LYS 93 7.426 -3.864 -7.197 719 HG2 LYS 93 1HG LYS 93 5.453 -4.644 -7.963 720 HG3 LYS 93 2HG LYS 93 4.922 -3.013 -7.547 721 HD2 LYS 93 1HD LYS 93 4.126 -3.090 -9.674 722 HD3 LYS 93 2HD LYS 93 5.767 -2.547 -10.035 723 HE2 LYS 93 1HE LYS 93 6.453 -4.730 -10.639 724 HE3 LYS 93 2HE LYS 93 4.997 -5.454 -9.959 725 HZ1 LYS 93 1HZ LYS 93 5.286 -3.895 -12.449 726 HZ2 LYS 93 2HZ LYS 93 3.780 -4.064 -11.700 727 HZ3 LYS 93 3HZ LYS 93 4.616 -5.434 -12.235 728 H ARG 94 H ARG 94 9.181 -0.478 -8.276 729 HA ARG 94 HA ARG 94 7.816 1.407 -9.927 730 HB2 ARG 94 1HB ARG 94 10.642 0.785 -9.260 731 HB3 ARG 94 2HB ARG 94 10.350 1.646 -10.765 732 HG2 ARG 94 1HG ARG 94 9.374 2.533 -8.058 733 HG3 ARG 94 2HG ARG 94 10.820 3.141 -8.866 734 HD2 ARG 94 1HD ARG 94 9.090 3.571 -10.826 735 HD3 ARG 94 2HD ARG 94 7.951 3.611 -9.482 736 HE ARG 94 HE ARG 94 8.828 5.627 -8.841 737 HH11 ARG 94 2HH1 ARG 94 10.993 4.101 -11.100 738 HH12 ARG 94 1HH1 ARG 94 12.016 5.490 -11.258 739 HH21 ARG 94 2HH2 ARG 94 10.167 7.462 -9.041 740 HH22 ARG 94 1HH2 ARG 94 11.546 7.401 -10.086 741 H GLY 95 H GLY 95 8.277 1.689 -12.257 742 HA2 GLY 95 1HA GLY 95 8.215 -0.933 -13.597 743 HA3 GLY 95 2HA GLY 95 7.504 0.546 -14.227 744 H THR 96 H THR 96 10.743 -0.282 -12.993 745 HA THR 96 HA THR 96 11.869 0.932 -15.424 746 HB THR 96 HB THR 96 12.631 2.005 -13.382 747 HG1 THR 96 1HG THR 96 14.652 0.349 -14.529 748 HG21 THR 96 1HG2 THR 96 12.536 -0.562 -12.298 749 HG22 THR 96 2HG2 THR 96 13.103 0.904 -11.497 750 HG23 THR 96 3HG2 THR 96 14.250 -0.148 -12.327 751 H GLY 97 H GLY 97 11.238 -2.039 -14.035 752 HA2 GLY 97 1HA GLY 97 13.590 -3.476 -14.742 753 HA3 GLY 97 2HA GLY 97 12.016 -4.175 -14.391 754 H SER 98 H SER 98 10.458 -3.050 -16.364 755 HA SER 98 HA SER 98 11.104 -4.698 -18.581 756 HB2 SER 98 1HB SER 98 8.777 -4.008 -17.820 757 HB3 SER 98 2HB SER 98 9.087 -2.449 -18.583 758 HG SER 98 HG SER 98 8.190 -3.562 -20.190 759 H GLY 99 H GLY 99 12.208 -4.281 -20.393 760 HA2 GLY 99 1HA GLY 99 13.234 -3.091 -22.087 761 HA3 GLY 99 2HA GLY 99 12.478 -1.632 -21.465 762 HA PRO 100 HA PRO 100 17.124 -1.884 -20.478 763 HB2 PRO 100 1HB PRO 100 18.000 -0.049 -22.277 764 HB3 PRO 100 2HB PRO 100 17.900 -1.777 -22.638 765 HG2 PRO 100 1HG PRO 100 15.996 0.421 -23.351 766 HG3 PRO 100 2HG PRO 100 16.573 -0.927 -24.348 767 HD2 PRO 100 1HD PRO 100 14.151 -0.942 -23.137 768 HD3 PRO 100 2HD PRO 100 15.094 -2.422 -23.404 769 H SER 101 H SER 101 14.547 0.195 -20.394 770 HA SER 101 HA SER 101 14.070 2.098 -19.243 771 HB2 SER 101 1HB SER 101 15.102 2.389 -17.189 772 HB3 SER 101 2HB SER 101 15.510 0.708 -17.531 773 HG SER 101 HG SER 101 17.448 1.494 -17.105 774 H SER 102 H SER 102 15.176 2.462 -21.743 775 HA SER 102 HA SER 102 17.138 4.616 -21.453 776 HB2 SER 102 1HB SER 102 17.315 2.679 -23.177 777 HB3 SER 102 2HB SER 102 16.108 3.590 -24.085 778 HG SER 102 HG SER 102 17.544 5.356 -24.092 779 H GLY 103 H GLY 103 13.939 3.981 -22.855 780 HA2 GLY 103 1HA GLY 103 13.528 6.684 -23.694 781 HA3 GLY 103 2HA GLY 103 12.307 5.423 -23.612 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.249 -32.848 -4.639 2 HA2 GLY 1 1HA GLY 1 1.967 -31.263 -4.296 3 HA3 GLY 1 2HA GLY 1 1.787 -32.409 -5.616 4 H SER 2 H SER 2 1.676 -29.083 -4.670 5 HA SER 2 HA SER 2 1.568 -28.328 -7.506 6 HB2 SER 2 1HB SER 2 0.140 -26.408 -6.983 7 HB3 SER 2 2HB SER 2 -0.658 -27.912 -6.520 8 HG SER 2 HG SER 2 -0.410 -25.911 -4.991 9 H SER 3 H SER 3 3.681 -27.794 -7.722 10 HA SER 3 HA SER 3 5.255 -26.515 -5.773 11 HB2 SER 3 1HB SER 3 6.763 -25.985 -7.765 12 HB3 SER 3 2HB SER 3 6.399 -27.689 -7.492 13 HG SER 3 HG SER 3 5.109 -25.978 -9.357 14 H GLY 4 H GLY 4 6.370 -24.349 -6.241 15 HA2 GLY 4 1HA GLY 4 4.661 -22.373 -7.520 16 HA3 GLY 4 2HA GLY 4 4.817 -22.226 -5.776 17 H SER 5 H SER 5 6.393 -20.964 -5.054 18 HA SER 5 HA SER 5 8.150 -19.505 -5.097 19 HB2 SER 5 1HB SER 5 9.320 -21.985 -6.357 20 HB3 SER 5 2HB SER 5 10.300 -20.570 -5.979 21 HG SER 5 HG SER 5 9.552 -22.518 -4.350 22 H SER 6 H SER 6 6.318 -19.130 -7.218 23 HA SER 6 HA SER 6 8.085 -18.332 -9.435 24 HB2 SER 6 1HB SER 6 5.086 -18.748 -9.478 25 HB3 SER 6 2HB SER 6 6.102 -18.355 -10.865 26 HG SER 6 HG SER 6 5.939 -20.512 -10.963 27 H GLY 7 H GLY 7 8.670 -16.450 -8.110 28 HA2 GLY 7 1HA GLY 7 6.758 -14.270 -8.577 29 HA3 GLY 7 2HA GLY 7 7.405 -14.486 -6.957 30 H GLN 8 H GLN 8 8.259 -13.765 -10.301 31 HA GLN 8 HA GLN 8 10.686 -12.427 -9.301 32 HB2 GLN 8 1HB GLN 8 10.234 -14.117 -11.721 33 HB3 GLN 8 2HB GLN 8 11.404 -12.808 -11.814 34 HG2 GLN 8 1HG GLN 8 12.671 -13.749 -9.996 35 HG3 GLN 8 2HG GLN 8 11.454 -15.002 -9.756 36 HE21 GLN 8 1HE2 GLN 8 14.139 -13.941 -11.633 37 HE22 GLN 8 2HE2 GLN 8 14.307 -15.366 -12.595 38 H ASP 9 H ASP 9 7.819 -11.546 -9.884 39 HA ASP 9 HA ASP 9 7.634 -9.938 -12.117 40 HB2 ASP 9 1HB ASP 9 6.556 -9.285 -9.366 41 HB3 ASP 9 2HB ASP 9 5.966 -8.644 -10.898 42 H PHE 10 H PHE 10 7.340 -7.354 -11.627 43 HA PHE 10 HA PHE 10 9.875 -6.271 -11.766 44 HB2 PHE 10 1HB PHE 10 7.330 -4.917 -10.844 45 HB3 PHE 10 2HB PHE 10 8.795 -4.081 -11.350 46 HD1 PHE 10 1HD PHE 10 6.061 -6.279 -12.501 47 HD2 PHE 10 2HD PHE 10 9.271 -3.722 -13.629 48 HE1 PHE 10 1HE PHE 10 5.274 -6.325 -14.832 49 HE2 PHE 10 2HE PHE 10 8.488 -3.763 -15.962 50 HZ PHE 10 HZ PHE 10 6.487 -5.065 -16.565 51 H ASP 11 H ASP 11 10.340 -4.263 -10.116 52 HA ASP 11 HA ASP 11 11.539 -5.375 -7.889 53 HB2 ASP 11 1HB ASP 11 10.762 -2.590 -8.645 54 HB3 ASP 11 2HB ASP 11 11.324 -2.892 -7.003 55 H TYR 12 H TYR 12 10.794 -6.157 -6.038 56 HA TYR 12 HA TYR 12 8.057 -5.454 -5.223 57 HB2 TYR 12 1HB TYR 12 9.688 -7.936 -5.012 58 HB3 TYR 12 2HB TYR 12 8.537 -7.606 -3.723 59 HD1 TYR 12 1HD TYR 12 6.312 -6.375 -5.210 60 HD2 TYR 12 2HD TYR 12 8.761 -9.710 -6.204 61 HE1 TYR 12 1HE TYR 12 4.496 -7.288 -6.594 62 HE2 TYR 12 2HE TYR 12 6.951 -10.632 -7.591 63 HH TYR 12 HH TYR 12 4.128 -10.203 -7.455 64 H PHE 13 H PHE 13 8.970 -3.467 -4.292 65 HA PHE 13 HA PHE 13 10.366 -3.928 -1.745 66 HB2 PHE 13 1HB PHE 13 11.162 -1.678 -1.855 67 HB3 PHE 13 2HB PHE 13 11.421 -2.389 -3.445 68 HD1 PHE 13 2HD PHE 13 9.408 -0.011 -1.507 69 HD2 PHE 13 1HD PHE 13 10.250 -1.591 -5.369 70 HE1 PHE 13 2HE PHE 13 8.161 1.844 -2.534 71 HE2 PHE 13 1HE PHE 13 9.004 0.263 -6.402 72 HZ PHE 13 HZ PHE 13 7.957 1.982 -4.985 73 H THR 14 H THR 14 9.716 -2.617 0.097 74 HA THR 14 HA THR 14 6.805 -2.235 0.136 75 HB THR 14 HB THR 14 7.025 -2.323 2.612 76 HG1 THR 14 1HG THR 14 9.186 -3.280 3.249 77 HG21 THR 14 1HG2 THR 14 6.420 -4.408 1.947 78 HG22 THR 14 2HG2 THR 14 8.042 -4.808 2.513 79 HG23 THR 14 3HG2 THR 14 7.748 -4.542 0.795 80 H VAL 15 H VAL 15 5.913 -0.423 1.303 81 HA VAL 15 HA VAL 15 7.682 1.934 1.235 82 HB VAL 15 HB VAL 15 4.688 1.834 0.841 83 HG11 VAL 15 1HG1 VAL 15 5.864 4.280 -0.006 84 HG12 VAL 15 2HG1 VAL 15 4.660 4.014 1.257 85 HG13 VAL 15 3HG1 VAL 15 6.379 3.960 1.650 86 HG21 VAL 15 1HG2 VAL 15 6.018 0.921 -1.042 87 HG22 VAL 15 2HG2 VAL 15 5.122 2.380 -1.464 88 HG23 VAL 15 3HG2 VAL 15 6.856 2.468 -1.157 89 H ASP 16 H ASP 16 7.647 3.382 2.926 90 HA ASP 16 HA ASP 16 5.938 2.741 5.226 91 HB2 ASP 16 1HB ASP 16 8.154 1.714 5.603 92 HB3 ASP 16 2HB ASP 16 8.909 3.291 5.395 93 H MET 17 H MET 17 4.778 4.484 5.671 94 HA MET 17 HA MET 17 6.069 7.070 5.902 95 HB2 MET 17 1HB MET 17 3.565 7.125 4.308 96 HB3 MET 17 2HB MET 17 4.962 8.190 4.244 97 HG2 MET 17 1HG MET 17 6.225 6.423 3.088 98 HG3 MET 17 2HG MET 17 4.781 5.414 3.101 99 HE1 MET 17 1HE MET 17 2.297 7.187 0.918 100 HE2 MET 17 2HE MET 17 2.534 6.594 2.562 101 HE3 MET 17 3HE MET 17 2.614 8.324 2.229 102 H GLU 18 H GLU 18 4.379 8.752 6.641 103 HA GLU 18 HA GLU 18 2.524 7.431 8.513 104 HB2 GLU 18 1HB GLU 18 4.453 9.657 8.869 105 HB3 GLU 18 2HB GLU 18 2.908 9.814 9.693 106 HG2 GLU 18 1HG GLU 18 3.315 8.061 11.096 107 HG3 GLU 18 2HG GLU 18 4.393 7.256 9.958 108 H LYS 19 H LYS 19 0.826 9.118 9.322 109 HA LYS 19 HA LYS 19 -0.532 10.079 6.940 110 HB2 LYS 19 1HB LYS 19 -1.687 8.733 8.729 111 HB3 LYS 19 2HB LYS 19 -1.516 10.121 9.795 112 HG2 LYS 19 1HG LYS 19 -2.937 11.449 8.430 113 HG3 LYS 19 2HG LYS 19 -2.938 10.236 7.148 114 HD2 LYS 19 1HD LYS 19 -3.978 9.661 9.911 115 HD3 LYS 19 2HD LYS 19 -4.998 10.338 8.640 116 HE2 LYS 19 1HE LYS 19 -4.376 8.391 7.209 117 HE3 LYS 19 2HE LYS 19 -3.536 7.701 8.596 118 HZ1 LYS 19 1HZ LYS 19 -5.469 6.788 9.137 119 HZ2 LYS 19 2HZ LYS 19 -6.318 7.692 7.987 120 HZ3 LYS 19 3HZ LYS 19 -6.035 8.335 9.526 121 H GLY 20 H GLY 20 -1.377 12.209 6.731 122 HA2 GLY 20 1HA GLY 20 0.220 14.206 8.204 123 HA3 GLY 20 2HA GLY 20 -0.392 14.422 6.571 124 H ALA 21 H ALA 21 -1.920 15.918 6.524 125 HA ALA 21 HA ALA 21 -3.548 16.438 8.871 126 HB1 ALA 21 1HB ALA 21 -3.223 18.501 8.084 127 HB2 ALA 21 2HB ALA 21 -2.760 17.911 6.487 128 HB3 ALA 21 3HB ALA 21 -4.465 18.114 6.892 129 H LYS 22 H LYS 22 -4.186 15.807 5.416 130 HA LYS 22 HA LYS 22 -6.828 14.760 6.187 131 HB2 LYS 22 1HB LYS 22 -5.967 15.655 3.435 132 HB3 LYS 22 2HB LYS 22 -7.601 15.299 3.980 133 HG2 LYS 22 1HG LYS 22 -5.872 17.627 4.775 134 HG3 LYS 22 2HG LYS 22 -7.370 17.661 3.842 135 HD2 LYS 22 1HD LYS 22 -7.215 16.664 6.680 136 HD3 LYS 22 2HD LYS 22 -7.572 18.341 6.263 137 HE2 LYS 22 1HE LYS 22 -9.159 15.917 5.422 138 HE3 LYS 22 2HE LYS 22 -9.622 17.085 6.659 139 HZ1 LYS 22 1HZ LYS 22 -9.562 17.400 3.738 140 HZ2 LYS 22 2HZ LYS 22 -9.353 18.763 4.717 141 HZ3 LYS 22 3HZ LYS 22 -10.767 17.843 4.839 142 H GLY 23 H GLY 23 -4.173 13.358 6.167 143 HA2 GLY 23 1HA GLY 23 -4.446 10.862 5.845 144 HA3 GLY 23 2HA GLY 23 -4.801 11.272 4.173 145 H PHE 24 H PHE 24 -2.992 9.741 3.810 146 HA PHE 24 HA PHE 24 -0.337 10.654 4.483 147 HB2 PHE 24 1HB PHE 24 -1.291 8.361 2.757 148 HB3 PHE 24 2HB PHE 24 0.395 8.677 3.151 149 HD1 PHE 24 2HD PHE 24 -2.901 7.958 4.700 150 HD2 PHE 24 1HD PHE 24 1.335 7.803 5.086 151 HE1 PHE 24 2HE PHE 24 -3.140 6.636 6.762 152 HE2 PHE 24 1HE PHE 24 1.103 6.481 7.148 153 HZ PHE 24 HZ PHE 24 -1.137 5.897 7.989 154 H GLY 25 H GLY 25 -1.773 12.557 2.991 155 HA2 GLY 25 1HA GLY 25 -1.802 13.689 0.949 156 HA3 GLY 25 2HA GLY 25 -0.073 13.639 1.261 157 H PHE 26 H PHE 26 -2.213 10.954 0.402 158 HA PHE 26 HA PHE 26 -1.177 10.864 -2.300 159 HB2 PHE 26 1HB PHE 26 0.080 8.945 -2.166 160 HB3 PHE 26 2HB PHE 26 0.397 9.616 -0.570 161 HD1 PHE 26 2HD PHE 26 -2.092 7.407 -2.259 162 HD2 PHE 26 1HD PHE 26 0.219 8.204 1.225 163 HE1 PHE 26 2HE PHE 26 -2.939 5.340 -1.228 164 HE2 PHE 26 1HE PHE 26 -0.624 6.138 2.261 165 HZ PHE 26 HZ PHE 26 -2.206 4.703 1.035 166 H SER 27 H SER 27 -2.504 9.782 -3.697 167 HA SER 27 HA SER 27 -4.905 8.545 -2.514 168 HB2 SER 27 1HB SER 27 -5.440 10.667 -3.611 169 HB3 SER 27 2HB SER 27 -4.671 10.111 -5.097 170 HG SER 27 HG SER 27 -6.253 8.448 -5.183 171 H ILE 28 H ILE 28 -6.002 6.977 -3.994 172 HA ILE 28 HA ILE 28 -4.046 5.496 -5.625 173 HB ILE 28 HB ILE 28 -5.661 3.499 -4.804 174 HG12 ILE 28 1HG1 ILE 28 -5.291 5.073 -2.274 175 HG13 ILE 28 2HG1 ILE 28 -6.734 5.302 -3.257 176 HG21 ILE 28 1HG2 ILE 28 -3.127 3.765 -4.756 177 HG22 ILE 28 2HG2 ILE 28 -3.337 4.371 -3.115 178 HG23 ILE 28 3HG2 ILE 28 -3.849 2.733 -3.522 179 HD11 ILE 28 1HD1 ILE 28 -7.320 3.732 -1.624 180 HD12 ILE 28 2HD1 ILE 28 -7.055 2.793 -3.093 181 HD13 ILE 28 3HD1 ILE 28 -5.821 2.828 -1.834 182 H ARG 29 H ARG 29 -5.186 3.842 -7.062 183 HA ARG 29 HA ARG 29 -7.847 4.673 -7.914 184 HB2 ARG 29 1HB ARG 29 -7.262 5.140 -10.153 185 HB3 ARG 29 2HB ARG 29 -6.091 6.015 -9.176 186 HG2 ARG 29 1HG ARG 29 -4.355 4.637 -9.773 187 HG3 ARG 29 2HG ARG 29 -5.419 3.277 -10.136 188 HD2 ARG 29 1HD ARG 29 -4.542 4.129 -12.198 189 HD3 ARG 29 2HD ARG 29 -6.256 4.533 -12.109 190 HE ARG 29 HE ARG 29 -4.887 6.705 -11.086 191 HH11 ARG 29 2HH1 ARG 29 -5.061 4.981 -14.105 192 HH12 ARG 29 1HH1 ARG 29 -4.689 6.371 -15.070 193 HH21 ARG 29 2HH2 ARG 29 -4.397 8.542 -12.346 194 HH22 ARG 29 1HH2 ARG 29 -4.311 8.396 -14.068 195 H GLY 30 H GLY 30 -8.723 3.189 -9.618 196 HA2 GLY 30 1HA GLY 30 -9.051 1.088 -10.530 197 HA3 GLY 30 2HA GLY 30 -7.446 0.637 -9.976 198 H GLY 31 H GLY 31 -8.646 -1.415 -9.530 199 HA2 GLY 31 1HA GLY 31 -8.781 -2.394 -7.182 200 HA3 GLY 31 2HA GLY 31 -10.112 -1.265 -6.974 201 H ARG 32 H ARG 32 -10.572 -3.895 -6.522 202 HA ARG 32 HA ARG 32 -11.338 -5.518 -8.621 203 HB2 ARG 32 1HB ARG 32 -12.187 -5.243 -5.782 204 HB3 ARG 32 2HB ARG 32 -13.201 -6.214 -6.841 205 HG2 ARG 32 1HG ARG 32 -10.253 -6.687 -6.721 206 HG3 ARG 32 2HG ARG 32 -11.325 -7.356 -5.489 207 HD2 ARG 32 1HD ARG 32 -11.950 -7.742 -8.387 208 HD3 ARG 32 2HD ARG 32 -10.737 -8.756 -7.606 209 HE ARG 32 HE ARG 32 -12.834 -8.960 -5.932 210 HH11 ARG 32 2HH1 ARG 32 -12.528 -9.324 -9.381 211 HH12 ARG 32 1HH1 ARG 32 -13.806 -10.487 -9.503 212 HH21 ARG 32 2HH2 ARG 32 -14.519 -10.491 -6.080 213 HH22 ARG 32 1HH2 ARG 32 -14.938 -11.150 -7.625 214 H GLU 33 H GLU 33 -12.732 -2.573 -7.588 215 HA GLU 33 HA GLU 33 -15.390 -2.991 -8.494 216 HB2 GLU 33 1HB GLU 33 -14.358 -1.122 -6.955 217 HB3 GLU 33 2HB GLU 33 -14.136 -0.276 -8.480 218 HG2 GLU 33 1HG GLU 33 -16.661 -0.877 -8.825 219 HG3 GLU 33 2HG GLU 33 -16.647 -1.014 -7.068 220 H TYR 34 H TYR 34 -12.449 -1.813 -10.017 221 HA TYR 34 HA TYR 34 -13.908 -1.512 -12.554 222 HB2 TYR 34 1HB TYR 34 -11.106 -0.532 -12.105 223 HB3 TYR 34 2HB TYR 34 -12.309 0.043 -13.254 224 HD1 TYR 34 1HD TYR 34 -14.194 1.454 -12.463 225 HD2 TYR 34 2HD TYR 34 -10.991 0.346 -9.892 226 HE1 TYR 34 1HE TYR 34 -14.838 3.242 -10.901 227 HE2 TYR 34 2HE TYR 34 -11.626 2.130 -8.322 228 HH TYR 34 HH TYR 34 -13.642 3.444 -7.747 229 H LYS 35 H LYS 35 -12.416 -3.860 -11.021 230 HA LYS 35 HA LYS 35 -11.357 -5.782 -11.618 231 HB2 LYS 35 1HB LYS 35 -12.006 -4.926 -14.444 232 HB3 LYS 35 2HB LYS 35 -11.584 -6.550 -13.919 233 HG2 LYS 35 1HG LYS 35 -13.860 -6.712 -14.057 234 HG3 LYS 35 2HG LYS 35 -13.663 -6.268 -12.360 235 HD2 LYS 35 1HD LYS 35 -14.309 -4.046 -12.754 236 HD3 LYS 35 2HD LYS 35 -14.075 -4.197 -14.497 237 HE2 LYS 35 1HE LYS 35 -15.999 -5.591 -14.707 238 HE3 LYS 35 2HE LYS 35 -16.155 -5.739 -12.958 239 HZ1 LYS 35 1HZ LYS 35 -16.187 -3.017 -13.650 240 HZ2 LYS 35 2HZ LYS 35 -17.415 -3.937 -12.940 241 HZ3 LYS 35 3HZ LYS 35 -17.309 -3.827 -14.624 242 H MET 36 H MET 36 -9.635 -3.829 -11.004 243 HA MET 36 HA MET 36 -7.351 -4.485 -12.655 244 HB2 MET 36 1HB MET 36 -6.689 -2.100 -12.937 245 HB3 MET 36 2HB MET 36 -8.133 -2.541 -13.840 246 HG2 MET 36 1HG MET 36 -9.403 -1.630 -11.779 247 HG3 MET 36 2HG MET 36 -7.876 -0.832 -11.406 248 HE1 MET 36 1HE MET 36 -7.204 1.019 -11.972 249 HE2 MET 36 2HE MET 36 -7.266 1.801 -13.551 250 HE3 MET 36 3HE MET 36 -8.482 2.181 -12.331 251 H ASP 37 H ASP 37 -5.312 -3.539 -11.701 252 HA ASP 37 HA ASP 37 -5.277 -4.082 -8.897 253 HB2 ASP 37 1HB ASP 37 -3.072 -2.954 -10.634 254 HB3 ASP 37 2HB ASP 37 -2.879 -3.684 -9.043 255 H LEU 38 H LEU 38 -4.028 -2.545 -7.406 256 HA LEU 38 HA LEU 38 -5.339 0.060 -7.566 257 HB2 LEU 38 1HB LEU 38 -3.955 -1.423 -5.348 258 HB3 LEU 38 2HB LEU 38 -4.441 0.265 -5.195 259 HG LEU 38 HG LEU 38 -6.493 -1.761 -5.957 260 HD11 LEU 38 1HD1 LEU 38 -4.942 -2.281 -3.792 261 HD12 LEU 38 2HD1 LEU 38 -6.632 -2.758 -3.954 262 HD13 LEU 38 3HD1 LEU 38 -6.211 -1.286 -3.078 263 HD21 LEU 38 1HD2 LEU 38 -7.228 0.176 -3.975 264 HD22 LEU 38 2HD2 LEU 38 -7.860 -0.048 -5.607 265 HD23 LEU 38 3HD2 LEU 38 -6.449 0.976 -5.340 266 H TYR 39 H TYR 39 -4.274 1.726 -8.382 267 HA TYR 39 HA TYR 39 -1.341 1.799 -8.097 268 HB2 TYR 39 1HB TYR 39 -2.821 3.245 -10.276 269 HB3 TYR 39 2HB TYR 39 -1.128 2.769 -10.221 270 HD1 TYR 39 1HD TYR 39 -4.574 1.402 -10.492 271 HD2 TYR 39 2HD TYR 39 -0.426 0.750 -11.185 272 HE1 TYR 39 1HE TYR 39 -5.112 -0.633 -11.764 273 HE2 TYR 39 2HE TYR 39 -0.954 -1.286 -12.460 274 HH TYR 39 HH TYR 39 -2.574 -2.532 -13.353 275 H VAL 40 H VAL 40 -0.446 4.066 -8.214 276 HA VAL 40 HA VAL 40 -1.749 5.666 -6.220 277 HB VAL 40 HB VAL 40 0.686 6.374 -7.861 278 HG11 VAL 40 1HG1 VAL 40 0.312 8.337 -6.821 279 HG12 VAL 40 2HG1 VAL 40 -0.722 7.609 -5.590 280 HG13 VAL 40 3HG1 VAL 40 1.033 7.516 -5.436 281 HG21 VAL 40 1HG2 VAL 40 1.314 5.521 -5.210 282 HG22 VAL 40 2HG2 VAL 40 0.363 4.268 -6.007 283 HG23 VAL 40 3HG2 VAL 40 1.855 4.848 -6.748 284 H LEU 41 H LEU 41 -3.401 6.952 -6.694 285 HA LEU 41 HA LEU 41 -4.018 7.856 -9.302 286 HB2 LEU 41 1HB LEU 41 -5.664 7.510 -7.474 287 HB3 LEU 41 2HB LEU 41 -5.017 8.941 -6.674 288 HG LEU 41 HG LEU 41 -7.174 9.255 -7.940 289 HD11 LEU 41 1HD1 LEU 41 -4.910 10.969 -8.934 290 HD12 LEU 41 2HD1 LEU 41 -5.563 11.073 -7.299 291 HD13 LEU 41 3HD1 LEU 41 -6.594 11.431 -8.684 292 HD21 LEU 41 1HD2 LEU 41 -5.940 7.881 -9.929 293 HD22 LEU 41 2HD2 LEU 41 -5.712 9.544 -10.469 294 HD23 LEU 41 3HD2 LEU 41 -7.337 8.933 -10.156 295 H ARG 42 H ARG 42 -3.069 9.744 -6.424 296 HA ARG 42 HA ARG 42 -1.343 11.415 -8.030 297 HB2 ARG 42 1HB ARG 42 -3.107 12.791 -8.510 298 HB3 ARG 42 2HB ARG 42 -4.004 12.321 -7.073 299 HG2 ARG 42 1HG ARG 42 -1.519 13.938 -6.776 300 HG3 ARG 42 2HG ARG 42 -3.014 14.721 -7.292 301 HD2 ARG 42 1HD ARG 42 -3.124 12.911 -4.939 302 HD3 ARG 42 2HD ARG 42 -2.356 14.485 -4.734 303 HE ARG 42 HE ARG 42 -5.146 13.963 -4.993 304 HH11 ARG 42 2HH1 ARG 42 -2.657 16.295 -5.689 305 HH12 ARG 42 1HH1 ARG 42 -3.742 17.646 -5.692 306 HH21 ARG 42 2HH2 ARG 42 -6.585 15.734 -4.994 307 HH22 ARG 42 1HH2 ARG 42 -5.975 17.326 -5.296 308 H LEU 43 H LEU 43 0.098 12.663 -6.795 309 HA LEU 43 HA LEU 43 0.206 11.886 -3.961 310 HB2 LEU 43 1HB LEU 43 2.254 12.373 -6.045 311 HB3 LEU 43 2HB LEU 43 2.657 12.853 -4.397 312 HG LEU 43 HG LEU 43 1.893 10.074 -5.295 313 HD11 LEU 43 1HD1 LEU 43 4.082 10.612 -6.090 314 HD12 LEU 43 2HD1 LEU 43 4.253 9.567 -4.680 315 HD13 LEU 43 3HD1 LEU 43 4.535 11.302 -4.531 316 HD21 LEU 43 1HD2 LEU 43 2.631 11.198 -2.600 317 HD22 LEU 43 2HD2 LEU 43 2.656 9.475 -2.981 318 HD23 LEU 43 3HD2 LEU 43 1.140 10.374 -3.058 319 H ALA 44 H ALA 44 0.743 13.434 -2.379 320 HA ALA 44 HA ALA 44 -0.163 16.120 -3.040 321 HB1 ALA 44 1HB ALA 44 0.499 14.871 -0.375 322 HB2 ALA 44 2HB ALA 44 -0.191 16.477 -0.613 323 HB3 ALA 44 3HB ALA 44 -1.110 15.045 -1.077 324 H GLU 45 H GLU 45 1.233 17.647 -3.597 325 HA GLU 45 HA GLU 45 4.026 17.371 -3.447 326 HB2 GLU 45 1HB GLU 45 4.122 19.705 -4.157 327 HB3 GLU 45 2HB GLU 45 2.914 18.824 -5.080 328 HG2 GLU 45 1HG GLU 45 1.204 19.741 -3.456 329 HG3 GLU 45 2HG GLU 45 2.477 20.816 -2.880 330 H ASP 46 H ASP 46 1.762 18.234 -1.080 331 HA ASP 46 HA ASP 46 3.906 19.322 0.626 332 HB2 ASP 46 1HB ASP 46 2.151 20.997 0.048 333 HB3 ASP 46 2HB ASP 46 0.955 19.960 0.821 334 H GLY 47 H GLY 47 2.508 16.567 0.089 335 HA2 GLY 47 1HA GLY 47 1.670 15.958 2.831 336 HA3 GLY 47 2HA GLY 47 1.448 14.923 1.428 337 HA PRO 48 HA PRO 48 5.220 13.695 4.037 338 HB2 PRO 48 1HB PRO 48 4.203 11.416 5.104 339 HB3 PRO 48 2HB PRO 48 4.064 12.991 5.893 340 HG2 PRO 48 1HG PRO 48 2.050 11.516 4.241 341 HG3 PRO 48 2HG PRO 48 1.817 12.406 5.757 342 HD2 PRO 48 1HD PRO 48 1.188 13.453 3.340 343 HD3 PRO 48 2HD PRO 48 1.760 14.450 4.693 344 H ALA 49 H ALA 49 2.960 12.047 1.938 345 HA ALA 49 HA ALA 49 4.522 9.779 1.334 346 HB1 ALA 49 1HB ALA 49 2.495 11.126 -0.445 347 HB2 ALA 49 2HB ALA 49 3.047 9.453 -0.540 348 HB3 ALA 49 3HB ALA 49 2.103 9.993 0.848 349 H ILE 50 H ILE 50 3.904 12.586 -0.783 350 HA ILE 50 HA ILE 50 5.769 12.112 -2.717 351 HB ILE 50 HB ILE 50 4.087 14.110 -2.375 352 HG12 ILE 50 1HG1 ILE 50 6.607 14.821 -3.833 353 HG13 ILE 50 2HG1 ILE 50 5.667 13.428 -4.357 354 HG21 ILE 50 1HG2 ILE 50 6.704 15.353 -1.540 355 HG22 ILE 50 2HG2 ILE 50 5.190 16.206 -1.839 356 HG23 ILE 50 3HG2 ILE 50 5.316 15.082 -0.486 357 HD11 ILE 50 1HD1 ILE 50 4.444 14.821 -5.562 358 HD12 ILE 50 2HD1 ILE 50 3.815 15.485 -4.053 359 HD13 ILE 50 3HD1 ILE 50 5.217 16.224 -4.825 360 H ARG 51 H ARG 51 6.349 13.020 0.555 361 HA ARG 51 HA ARG 51 9.061 13.915 0.077 362 HB2 ARG 51 1HB ARG 51 7.508 13.430 2.623 363 HB3 ARG 51 2HB ARG 51 9.162 14.026 2.579 364 HG2 ARG 51 1HG ARG 51 8.429 16.002 1.356 365 HG3 ARG 51 2HG ARG 51 6.771 15.400 1.370 366 HD2 ARG 51 1HD ARG 51 6.872 15.409 3.866 367 HD3 ARG 51 2HD ARG 51 8.444 16.198 3.746 368 HE ARG 51 HE ARG 51 6.602 17.682 2.255 369 HH11 ARG 51 2HH1 ARG 51 7.260 16.836 5.568 370 HH12 ARG 51 1HH1 ARG 51 6.574 18.290 6.212 371 HH21 ARG 51 2HH2 ARG 51 5.696 19.601 3.092 372 HH22 ARG 51 1HH2 ARG 51 5.684 19.862 4.803 373 H ASN 52 H ASN 52 7.400 11.020 1.124 374 HA ASN 52 HA ASN 52 9.530 9.614 2.251 375 HB2 ASN 52 1HB ASN 52 7.647 8.407 2.616 376 HB3 ASN 52 2HB ASN 52 6.897 8.938 1.113 377 HD21 ASN 52 1HD2 ASN 52 6.442 7.292 -0.138 378 HD22 ASN 52 2HD2 ASN 52 7.415 5.883 -0.372 379 H GLY 53 H GLY 53 8.274 9.320 -1.082 380 HA2 GLY 53 1HA GLY 53 9.671 9.320 -3.012 381 HA3 GLY 53 2HA GLY 53 11.025 8.851 -1.995 382 H ARG 54 H ARG 54 10.264 6.659 -0.711 383 HA ARG 54 HA ARG 54 10.707 4.543 -2.268 384 HB2 ARG 54 1HB ARG 54 8.838 4.769 0.079 385 HB3 ARG 54 2HB ARG 54 9.122 3.226 -0.715 386 HG2 ARG 54 1HG ARG 54 11.459 4.840 0.178 387 HG3 ARG 54 2HG ARG 54 10.521 3.941 1.373 388 HD2 ARG 54 1HD ARG 54 10.922 1.876 0.218 389 HD3 ARG 54 2HD ARG 54 11.685 2.724 -1.126 390 HE ARG 54 HE ARG 54 13.630 2.702 0.055 391 HH11 ARG 54 2HH1 ARG 54 10.983 2.339 2.287 392 HH12 ARG 54 1HH1 ARG 54 12.007 2.110 3.666 393 HH21 ARG 54 2HH2 ARG 54 14.988 2.402 1.863 394 HH22 ARG 54 1HH2 ARG 54 14.285 2.147 3.424 395 H MET 55 H MET 55 7.666 6.268 -2.092 396 HA MET 55 HA MET 55 6.649 4.578 -4.280 397 HB2 MET 55 1HB MET 55 4.502 4.566 -3.397 398 HB3 MET 55 2HB MET 55 5.499 4.418 -1.957 399 HG2 MET 55 1HG MET 55 5.251 6.802 -1.527 400 HG3 MET 55 2HG MET 55 4.272 6.966 -2.983 401 HE1 MET 55 1HE MET 55 1.009 5.965 -2.414 402 HE2 MET 55 2HE MET 55 1.404 7.530 -1.704 403 HE3 MET 55 3HE MET 55 2.230 6.991 -3.167 404 H ARG 56 H ARG 56 5.595 5.602 -5.969 405 HA ARG 56 HA ARG 56 5.436 8.528 -5.893 406 HB2 ARG 56 1HB ARG 56 7.107 6.864 -7.702 407 HB3 ARG 56 2HB ARG 56 6.273 8.235 -8.420 408 HG2 ARG 56 1HG ARG 56 8.289 9.166 -7.843 409 HG3 ARG 56 2HG ARG 56 7.305 9.557 -6.431 410 HD2 ARG 56 1HD ARG 56 9.223 8.735 -5.451 411 HD3 ARG 56 2HD ARG 56 8.208 7.295 -5.515 412 HE ARG 56 HE ARG 56 9.719 6.355 -6.944 413 HH11 ARG 56 2HH1 ARG 56 10.198 9.803 -6.917 414 HH12 ARG 56 1HH1 ARG 56 11.623 9.744 -7.901 415 HH21 ARG 56 2HH2 ARG 56 11.593 6.264 -8.240 416 HH22 ARG 56 1HH2 ARG 56 12.415 7.730 -8.654 417 H VAL 57 H VAL 57 4.514 9.160 -8.281 418 HA VAL 57 HA VAL 57 1.905 7.899 -8.339 419 HB VAL 57 HB VAL 57 2.971 10.206 -9.975 420 HG11 VAL 57 1HG1 VAL 57 0.866 10.528 -10.836 421 HG12 VAL 57 2HG1 VAL 57 0.920 8.766 -10.749 422 HG13 VAL 57 3HG1 VAL 57 0.074 9.687 -9.504 423 HG21 VAL 57 1HG2 VAL 57 0.961 10.702 -7.897 424 HG22 VAL 57 2HG2 VAL 57 2.538 10.199 -7.289 425 HG23 VAL 57 3HG2 VAL 57 2.405 11.621 -8.323 426 H GLY 58 H GLY 58 1.044 6.717 -9.996 427 HA2 GLY 58 1HA GLY 58 0.951 5.795 -12.162 428 HA3 GLY 58 2HA GLY 58 2.599 6.340 -12.440 429 H ASP 59 H ASP 59 2.499 4.913 -9.454 430 HA ASP 59 HA ASP 59 3.797 2.525 -10.476 431 HB2 ASP 59 1HB ASP 59 3.615 3.891 -7.835 432 HB3 ASP 59 2HB ASP 59 3.926 2.157 -7.838 433 H GLN 60 H GLN 60 3.287 0.408 -9.379 434 HA GLN 60 HA GLN 60 0.365 0.109 -9.159 435 HB2 GLN 60 1HB GLN 60 1.630 -0.990 -11.111 436 HB3 GLN 60 2HB GLN 60 2.264 -2.103 -9.906 437 HG2 GLN 60 1HG GLN 60 -0.673 -1.695 -10.019 438 HG3 GLN 60 2HG GLN 60 0.090 -2.636 -11.300 439 HE21 GLN 60 1HE2 GLN 60 -0.980 -2.594 -8.067 440 HE22 GLN 60 2HE2 GLN 60 -0.495 -4.195 -7.639 441 H ILE 61 H ILE 61 -0.346 -0.355 -7.196 442 HA ILE 61 HA ILE 61 1.496 -1.387 -5.190 443 HB ILE 61 HB ILE 61 -1.387 -0.575 -4.820 444 HG12 ILE 61 1HG1 ILE 61 0.928 1.155 -4.039 445 HG13 ILE 61 2HG1 ILE 61 0.373 1.171 -5.709 446 HG21 ILE 61 1HG2 ILE 61 -0.726 -0.334 -2.461 447 HG22 ILE 61 2HG2 ILE 61 -0.538 -1.986 -3.045 448 HG23 ILE 61 3HG2 ILE 61 0.876 -0.949 -2.864 449 HD11 ILE 61 1HD1 ILE 61 -1.754 1.976 -5.091 450 HD12 ILE 61 2HD1 ILE 61 -1.458 1.656 -3.382 451 HD13 ILE 61 3HD1 ILE 61 -0.576 2.943 -4.204 452 H ILE 62 H ILE 62 1.614 -3.466 -4.688 453 HA ILE 62 HA ILE 62 -0.525 -5.262 -5.579 454 HB ILE 62 HB ILE 62 1.362 -6.973 -4.751 455 HG12 ILE 62 1HG1 ILE 62 2.770 -4.896 -4.127 456 HG13 ILE 62 2HG1 ILE 62 3.557 -6.198 -5.013 457 HG21 ILE 62 1HG2 ILE 62 0.767 -5.654 -7.320 458 HG22 ILE 62 2HG2 ILE 62 2.285 -6.547 -7.241 459 HG23 ILE 62 3HG2 ILE 62 0.762 -7.365 -6.892 460 HD11 ILE 62 1HD1 ILE 62 4.028 -4.865 -6.722 461 HD12 ILE 62 2HD1 ILE 62 2.387 -4.221 -6.777 462 HD13 ILE 62 3HD1 ILE 62 3.570 -3.527 -5.669 463 H GLU 63 H GLU 63 1.255 -4.246 -2.726 464 HA GLU 63 HA GLU 63 -0.622 -5.810 -1.076 465 HB2 GLU 63 1HB GLU 63 1.980 -6.318 -1.105 466 HB3 GLU 63 2HB GLU 63 2.022 -4.963 0.015 467 HG2 GLU 63 1HG GLU 63 1.848 -6.776 1.423 468 HG3 GLU 63 2HG GLU 63 0.174 -6.244 1.278 469 H ILE 64 H ILE 64 -1.515 -4.824 0.725 470 HA ILE 64 HA ILE 64 -0.879 -1.996 1.175 471 HB ILE 64 HB ILE 64 -3.615 -3.117 0.605 472 HG12 ILE 64 1HG1 ILE 64 -2.084 -0.758 -0.514 473 HG13 ILE 64 2HG1 ILE 64 -2.307 -2.310 -1.314 474 HG21 ILE 64 1HG2 ILE 64 -4.406 -1.804 2.227 475 HG22 ILE 64 2HG2 ILE 64 -2.861 -0.978 2.427 476 HG23 ILE 64 3HG2 ILE 64 -3.986 -0.452 1.175 477 HD11 ILE 64 1HD1 ILE 64 -3.944 -1.118 -2.332 478 HD12 ILE 64 2HD1 ILE 64 -4.855 -1.717 -0.945 479 HD13 ILE 64 3HD1 ILE 64 -4.210 -0.076 -0.935 480 H ASN 65 H ASN 65 -0.225 -1.940 3.223 481 HA ASN 65 HA ASN 65 -0.090 -2.307 5.466 482 HB2 ASN 65 1HB ASN 65 -3.008 -2.146 4.888 483 HB3 ASN 65 2HB ASN 65 -2.524 -2.691 6.491 484 HD21 ASN 65 1HD2 ASN 65 -3.914 -0.276 5.770 485 HD22 ASN 65 2HD2 ASN 65 -2.933 1.042 6.305 486 H GLY 66 H GLY 66 0.402 -4.578 3.889 487 HA2 GLY 66 1HA GLY 66 0.808 -6.816 4.246 488 HA3 GLY 66 2HA GLY 66 0.127 -6.623 5.854 489 H GLU 67 H GLU 67 -1.576 -5.870 2.876 490 HA GLU 67 HA GLU 67 -3.227 -8.275 3.232 491 HB2 GLU 67 1HB GLU 67 -4.265 -5.470 2.792 492 HB3 GLU 67 2HB GLU 67 -5.250 -6.926 2.770 493 HG2 GLU 67 1HG GLU 67 -4.227 -7.271 5.161 494 HG3 GLU 67 2HG GLU 67 -3.980 -5.528 5.065 495 H SER 68 H SER 68 -3.405 -9.397 1.415 496 HA SER 68 HA SER 68 -2.223 -8.666 -0.996 497 HB2 SER 68 1HB SER 68 -3.438 -10.586 -1.973 498 HB3 SER 68 2HB SER 68 -2.703 -10.995 -0.424 499 HG SER 68 HG SER 68 -5.361 -10.084 -0.527 500 H THR 69 H THR 69 -2.793 -7.240 -2.483 501 HA THR 69 HA THR 69 -5.527 -6.211 -2.517 502 HB THR 69 HB THR 69 -4.725 -4.339 -3.712 503 HG1 THR 69 1HG THR 69 -2.722 -4.316 -4.741 504 HG21 THR 69 1HG2 THR 69 -2.251 -4.298 -2.343 505 HG22 THR 69 2HG2 THR 69 -3.388 -5.194 -1.336 506 HG23 THR 69 3HG2 THR 69 -3.774 -3.555 -1.858 507 H ARG 70 H ARG 70 -5.614 -8.700 -3.454 508 HA ARG 70 HA ARG 70 -5.547 -8.496 -6.386 509 HB2 ARG 70 1HB ARG 70 -4.298 -10.373 -5.273 510 HB3 ARG 70 2HB ARG 70 -5.845 -10.994 -4.715 511 HG2 ARG 70 1HG ARG 70 -5.585 -12.243 -6.595 512 HG3 ARG 70 2HG ARG 70 -6.433 -10.856 -7.282 513 HD2 ARG 70 1HD ARG 70 -4.024 -9.916 -7.627 514 HD3 ARG 70 2HD ARG 70 -3.548 -11.607 -7.479 515 HE ARG 70 HE ARG 70 -5.669 -11.214 -9.359 516 HH11 ARG 70 2HH1 ARG 70 -2.219 -11.081 -8.915 517 HH12 ARG 70 1HH1 ARG 70 -1.862 -11.334 -10.591 518 HH21 ARG 70 2HH2 ARG 70 -5.213 -11.548 -11.568 519 HH22 ARG 70 1HH2 ARG 70 -3.566 -11.599 -12.100 520 H ASP 71 H ASP 71 -7.613 -9.151 -3.632 521 HA ASP 71 HA ASP 71 -9.938 -9.086 -5.441 522 HB2 ASP 71 1HB ASP 71 -9.361 -11.336 -4.270 523 HB3 ASP 71 2HB ASP 71 -9.997 -10.558 -2.823 524 H MET 72 H MET 72 -8.912 -6.764 -4.412 525 HA MET 72 HA MET 72 -10.937 -6.039 -2.399 526 HB2 MET 72 1HB MET 72 -8.280 -4.649 -2.566 527 HB3 MET 72 2HB MET 72 -9.429 -4.674 -1.234 528 HG2 MET 72 1HG MET 72 -8.892 -7.212 -1.164 529 HG3 MET 72 2HG MET 72 -7.452 -6.745 -2.066 530 HE1 MET 72 1HE MET 72 -7.556 -3.554 -0.100 531 HE2 MET 72 2HE MET 72 -5.921 -4.061 0.327 532 HE3 MET 72 3HE MET 72 -6.512 -4.284 -1.321 533 H THR 73 H THR 73 -12.028 -4.140 -2.711 534 HA THR 73 HA THR 73 -11.769 -2.952 -5.360 535 HB THR 73 HB THR 73 -13.897 -1.772 -4.767 536 HG1 THR 73 1HG THR 73 -13.251 -2.681 -2.321 537 HG21 THR 73 1HG2 THR 73 -14.117 -3.771 -6.026 538 HG22 THR 73 2HG2 THR 73 -15.293 -3.888 -4.716 539 HG23 THR 73 3HG2 THR 73 -13.774 -4.778 -4.620 540 H HIS 74 H HIS 74 -11.722 -0.660 -5.678 541 HA HIS 74 HA HIS 74 -9.752 0.736 -4.472 542 HB2 HIS 74 1HB HIS 74 -11.273 1.383 -6.473 543 HB3 HIS 74 2HB HIS 74 -12.259 2.196 -5.261 544 HD1 HIS 74 1HD HIS 74 -11.338 4.187 -7.049 545 HD2 HIS 74 2HD HIS 74 -8.756 2.733 -4.138 546 HE1 HIS 74 1HE HIS 74 -9.553 5.941 -6.798 547 HE2 HIS 74 2HE HIS 74 -7.956 5.000 -5.092 548 H ALA 75 H ALA 75 -13.020 0.339 -3.279 549 HA ALA 75 HA ALA 75 -12.952 2.324 -1.272 550 HB1 ALA 75 1HB ALA 75 -14.902 0.794 -2.253 551 HB2 ALA 75 2HB ALA 75 -14.542 -0.127 -0.793 552 HB3 ALA 75 3HB ALA 75 -15.005 1.570 -0.673 553 H ARG 76 H ARG 76 -12.479 -1.206 -1.035 554 HA ARG 76 HA ARG 76 -11.883 -1.418 1.633 555 HB2 ARG 76 1HB ARG 76 -12.091 -3.386 0.270 556 HB3 ARG 76 2HB ARG 76 -10.703 -2.920 -0.705 557 HG2 ARG 76 1HG ARG 76 -10.268 -4.739 0.945 558 HG3 ARG 76 2HG ARG 76 -9.200 -3.341 1.088 559 HD2 ARG 76 1HD ARG 76 -10.089 -2.693 3.086 560 HD3 ARG 76 2HD ARG 76 -11.683 -3.348 2.712 561 HE ARG 76 HE ARG 76 -9.778 -5.427 3.027 562 HH11 ARG 76 2HH1 ARG 76 -11.693 -3.139 4.820 563 HH12 ARG 76 1HH1 ARG 76 -11.758 -4.116 6.250 564 HH21 ARG 76 2HH2 ARG 76 -9.855 -6.722 4.902 565 HH22 ARG 76 1HH2 ARG 76 -10.711 -6.154 6.296 566 H ALA 77 H ALA 77 -9.611 -0.700 -1.006 567 HA ALA 77 HA ALA 77 -7.281 -0.544 0.523 568 HB1 ALA 77 1HB ALA 77 -6.262 0.247 -1.357 569 HB2 ALA 77 2HB ALA 77 -7.725 -0.421 -2.081 570 HB3 ALA 77 3HB ALA 77 -7.605 1.311 -1.774 571 H ILE 78 H ILE 78 -9.571 2.021 -0.386 572 HA ILE 78 HA ILE 78 -8.220 4.134 0.881 573 HB ILE 78 HB ILE 78 -11.192 3.878 0.410 574 HG12 ILE 78 1HG1 ILE 78 -9.414 3.672 -1.548 575 HG13 ILE 78 2HG1 ILE 78 -10.900 4.593 -1.755 576 HG21 ILE 78 1HG2 ILE 78 -10.848 6.458 0.226 577 HG22 ILE 78 2HG2 ILE 78 -11.005 5.698 1.808 578 HG23 ILE 78 3HG2 ILE 78 -9.411 6.139 1.197 579 HD11 ILE 78 1HD1 ILE 78 -8.531 5.555 -2.422 580 HD12 ILE 78 2HD1 ILE 78 -9.818 6.584 -1.793 581 HD13 ILE 78 3HD1 ILE 78 -8.528 6.034 -0.724 582 H GLU 79 H GLU 79 -10.011 1.528 2.166 583 HA GLU 79 HA GLU 79 -10.564 2.904 4.680 584 HB2 GLU 79 1HB GLU 79 -12.388 1.591 4.336 585 HB3 GLU 79 2HB GLU 79 -11.496 0.419 3.376 586 HG2 GLU 79 1HG GLU 79 -10.915 -0.833 5.180 587 HG3 GLU 79 2HG GLU 79 -10.909 0.547 6.277 588 H LEU 80 H LEU 80 -8.466 0.450 3.327 589 HA LEU 80 HA LEU 80 -7.441 -0.524 5.787 590 HB2 LEU 80 1HB LEU 80 -6.343 -0.573 2.984 591 HB3 LEU 80 2HB LEU 80 -5.568 -1.377 4.348 592 HG LEU 80 HG LEU 80 -8.203 -2.040 3.056 593 HD11 LEU 80 1HD1 LEU 80 -5.740 -3.701 3.564 594 HD12 LEU 80 2HD1 LEU 80 -6.138 -2.925 2.032 595 HD13 LEU 80 3HD1 LEU 80 -7.184 -4.190 2.677 596 HD21 LEU 80 1HD2 LEU 80 -7.094 -2.904 5.712 597 HD22 LEU 80 2HD2 LEU 80 -8.272 -3.867 4.819 598 HD23 LEU 80 3HD2 LEU 80 -8.686 -2.237 5.351 599 H ILE 81 H ILE 81 -6.525 2.095 3.633 600 HA ILE 81 HA ILE 81 -4.004 2.669 4.735 601 HB ILE 81 HB ILE 81 -5.929 4.629 3.481 602 HG12 ILE 81 1HG1 ILE 81 -3.683 3.276 2.025 603 HG13 ILE 81 2HG1 ILE 81 -5.229 2.453 2.202 604 HG21 ILE 81 1HG2 ILE 81 -3.787 5.790 2.851 605 HG22 ILE 81 2HG2 ILE 81 -4.187 5.816 4.568 606 HG23 ILE 81 3HG2 ILE 81 -2.960 4.702 3.965 607 HD11 ILE 81 1HD1 ILE 81 -4.545 4.174 0.190 608 HD12 ILE 81 2HD1 ILE 81 -6.187 3.703 0.632 609 HD13 ILE 81 3HD1 ILE 81 -5.495 5.195 1.269 610 H LYS 82 H LYS 82 -7.253 3.634 5.662 611 HA LYS 82 HA LYS 82 -6.194 5.315 7.810 612 HB2 LYS 82 1HB LYS 82 -8.830 5.585 8.116 613 HB3 LYS 82 2HB LYS 82 -7.920 6.524 6.939 614 HG2 LYS 82 1HG LYS 82 -8.549 4.965 5.182 615 HG3 LYS 82 2HG LYS 82 -9.428 3.982 6.355 616 HD2 LYS 82 1HD LYS 82 -11.067 5.300 5.296 617 HD3 LYS 82 2HD LYS 82 -10.786 6.075 6.857 618 HE2 LYS 82 1HE LYS 82 -9.007 7.437 5.450 619 HE3 LYS 82 2HE LYS 82 -10.069 6.986 4.117 620 HZ1 LYS 82 1HZ LYS 82 -11.455 8.584 4.715 621 HZ2 LYS 82 2HZ LYS 82 -10.418 9.039 5.973 622 HZ3 LYS 82 3HZ LYS 82 -11.640 7.903 6.253 623 H SER 83 H SER 83 -7.263 2.162 7.281 624 HA SER 83 HA SER 83 -8.479 1.672 9.820 625 HB2 SER 83 1HB SER 83 -9.021 0.252 7.920 626 HB3 SER 83 2HB SER 83 -7.333 -0.236 7.767 627 HG SER 83 HG SER 83 -7.512 -1.199 9.838 628 H GLY 84 H GLY 84 -5.229 1.418 8.513 629 HA2 GLY 84 1HA GLY 84 -4.120 -0.042 10.690 630 HA3 GLY 84 2HA GLY 84 -3.219 0.874 9.491 631 H GLY 85 H GLY 85 -4.284 3.422 9.935 632 HA2 GLY 85 1HA GLY 85 -4.660 4.714 12.119 633 HA3 GLY 85 2HA GLY 85 -3.136 3.979 12.592 634 H ARG 86 H ARG 86 -1.680 5.567 12.632 635 HA ARG 86 HA ARG 86 -1.746 7.665 10.615 636 HB2 ARG 86 1HB ARG 86 -0.491 7.305 13.273 637 HB3 ARG 86 2HB ARG 86 0.408 8.280 12.118 638 HG2 ARG 86 1HG ARG 86 -1.242 9.905 12.010 639 HG3 ARG 86 2HG ARG 86 -2.487 8.820 12.635 640 HD2 ARG 86 1HD ARG 86 -1.438 8.849 14.828 641 HD3 ARG 86 2HD ARG 86 -0.140 9.872 14.212 642 HE ARG 86 HE ARG 86 -2.413 11.277 13.679 643 HH11 ARG 86 2HH1 ARG 86 -1.013 9.875 16.541 644 HH12 ARG 86 1HH1 ARG 86 -1.692 11.057 17.610 645 HH21 ARG 86 2HH2 ARG 86 -3.312 12.840 15.076 646 HH22 ARG 86 1HH2 ARG 86 -3.000 12.743 16.776 647 H ARG 87 H ARG 87 -0.137 4.719 11.231 648 HA ARG 87 HA ARG 87 1.971 5.398 9.289 649 HB2 ARG 87 1HB ARG 87 1.952 3.143 11.302 650 HB3 ARG 87 2HB ARG 87 3.283 3.585 10.241 651 HG2 ARG 87 1HG ARG 87 3.611 5.649 11.401 652 HG3 ARG 87 2HG ARG 87 2.148 5.400 12.355 653 HD2 ARG 87 1HD ARG 87 4.634 3.694 12.434 654 HD3 ARG 87 2HD ARG 87 4.150 4.875 13.649 655 HE ARG 87 HE ARG 87 2.563 3.391 14.438 656 HH11 ARG 87 2HH1 ARG 87 3.991 2.195 11.497 657 HH12 ARG 87 1HH1 ARG 87 3.323 0.605 11.665 658 HH21 ARG 87 2HH2 ARG 87 1.678 1.302 14.671 659 HH22 ARG 87 1HH2 ARG 87 2.007 0.099 13.471 660 H VAL 88 H VAL 88 1.829 4.518 7.339 661 HA VAL 88 HA VAL 88 0.255 2.045 7.021 662 HB VAL 88 HB VAL 88 -0.938 3.968 6.067 663 HG11 VAL 88 1HG1 VAL 88 1.368 5.092 5.504 664 HG12 VAL 88 2HG1 VAL 88 1.139 4.280 3.954 665 HG13 VAL 88 3HG1 VAL 88 -0.064 5.432 4.534 666 HG21 VAL 88 1HG2 VAL 88 0.132 1.839 4.256 667 HG22 VAL 88 2HG2 VAL 88 -1.478 2.005 4.957 668 HG23 VAL 88 3HG2 VAL 88 -0.978 3.063 3.638 669 H ARG 89 H ARG 89 1.026 0.493 5.611 670 HA ARG 89 HA ARG 89 3.579 1.009 4.271 671 HB2 ARG 89 1HB ARG 89 4.329 0.016 6.285 672 HB3 ARG 89 2HB ARG 89 3.029 -1.168 6.277 673 HG2 ARG 89 1HG ARG 89 4.114 -2.015 4.098 674 HG3 ARG 89 2HG ARG 89 5.524 -1.099 4.632 675 HD2 ARG 89 1HD ARG 89 4.133 -3.121 6.371 676 HD3 ARG 89 2HD ARG 89 5.456 -3.545 5.285 677 HE ARG 89 HE ARG 89 6.097 -1.374 7.043 678 HH11 ARG 89 2HH1 ARG 89 5.942 -4.839 6.745 679 HH12 ARG 89 1HH1 ARG 89 7.136 -5.128 7.966 680 HH21 ARG 89 2HH2 ARG 89 7.671 -1.742 8.652 681 HH22 ARG 89 1HH2 ARG 89 8.119 -3.366 9.051 682 H LEU 90 H LEU 90 3.244 0.564 2.201 683 HA LEU 90 HA LEU 90 1.698 -1.845 1.515 684 HB2 LEU 90 1HB LEU 90 1.231 -0.360 -0.644 685 HB3 LEU 90 2HB LEU 90 0.177 -0.353 0.769 686 HG LEU 90 HG LEU 90 2.362 1.647 0.722 687 HD11 LEU 90 1HD1 LEU 90 0.152 2.802 -0.616 688 HD12 LEU 90 2HD1 LEU 90 0.619 1.351 -1.503 689 HD13 LEU 90 3HD1 LEU 90 1.809 2.615 -1.191 690 HD21 LEU 90 1HD2 LEU 90 1.106 2.085 2.535 691 HD22 LEU 90 2HD2 LEU 90 -0.313 1.267 1.882 692 HD23 LEU 90 3HD2 LEU 90 0.065 2.916 1.379 693 H LEU 91 H LEU 91 2.380 -2.997 -0.303 694 HA LEU 91 HA LEU 91 5.179 -2.602 -0.975 695 HB2 LEU 91 1HB LEU 91 4.046 -4.832 -0.381 696 HB3 LEU 91 2HB LEU 91 3.414 -4.788 -2.025 697 HG LEU 91 HG LEU 91 6.331 -4.843 -1.252 698 HD11 LEU 91 1HD1 LEU 91 5.440 -6.981 -0.821 699 HD12 LEU 91 2HD1 LEU 91 6.195 -7.089 -2.411 700 HD13 LEU 91 3HD1 LEU 91 4.443 -6.945 -2.275 701 HD21 LEU 91 1HD2 LEU 91 5.015 -4.940 -3.964 702 HD22 LEU 91 2HD2 LEU 91 6.739 -5.126 -3.642 703 HD23 LEU 91 3HD2 LEU 91 5.940 -3.588 -3.310 704 H LEU 92 H LEU 92 5.723 -1.370 -2.639 705 HA LEU 92 HA LEU 92 3.938 -1.300 -4.983 706 HB2 LEU 92 1HB LEU 92 4.260 0.820 -3.569 707 HB3 LEU 92 2HB LEU 92 5.878 0.874 -4.268 708 HG LEU 92 HG LEU 92 4.667 0.832 -6.541 709 HD11 LEU 92 1HD1 LEU 92 2.396 2.161 -5.214 710 HD12 LEU 92 2HD1 LEU 92 2.451 0.404 -5.082 711 HD13 LEU 92 3HD1 LEU 92 2.442 1.169 -6.671 712 HD21 LEU 92 1HD2 LEU 92 3.989 3.401 -5.924 713 HD22 LEU 92 2HD2 LEU 92 5.615 2.851 -6.333 714 HD23 LEU 92 3HD2 LEU 92 5.136 3.010 -4.642 715 H LYS 93 H LYS 93 4.874 -1.309 -7.042 716 HA LYS 93 HA LYS 93 7.681 -2.208 -7.102 717 HB2 LYS 93 1HB LYS 93 6.793 -3.175 -9.414 718 HB3 LYS 93 2HB LYS 93 6.622 -4.066 -7.907 719 HG2 LYS 93 1HG LYS 93 4.330 -3.005 -7.705 720 HG3 LYS 93 2HG LYS 93 4.536 -2.488 -9.380 721 HD2 LYS 93 1HD LYS 93 5.033 -5.346 -8.724 722 HD3 LYS 93 2HD LYS 93 3.361 -4.781 -8.757 723 HE2 LYS 93 1HE LYS 93 4.165 -3.708 -11.044 724 HE3 LYS 93 2HE LYS 93 5.339 -5.021 -10.964 725 HZ1 LYS 93 1HZ LYS 93 2.575 -5.745 -10.435 726 HZ2 LYS 93 2HZ LYS 93 3.763 -6.571 -11.310 727 HZ3 LYS 93 3HZ LYS 93 2.924 -5.288 -12.026 728 H ARG 94 H ARG 94 9.087 -1.038 -8.242 729 HA ARG 94 HA ARG 94 8.040 1.156 -9.885 730 HB2 ARG 94 1HB ARG 94 9.727 1.445 -7.912 731 HB3 ARG 94 2HB ARG 94 10.916 0.887 -9.082 732 HG2 ARG 94 1HG ARG 94 9.114 3.081 -9.922 733 HG3 ARG 94 2HG ARG 94 10.356 3.455 -8.725 734 HD2 ARG 94 1HD ARG 94 11.927 2.198 -10.388 735 HD3 ARG 94 2HD ARG 94 10.655 2.552 -11.556 736 HE ARG 94 HE ARG 94 12.527 4.405 -10.424 737 HH11 ARG 94 2HH1 ARG 94 9.359 4.062 -11.827 738 HH12 ARG 94 1HH1 ARG 94 9.277 5.707 -12.366 739 HH21 ARG 94 2HH2 ARG 94 12.430 6.572 -11.128 740 HH22 ARG 94 1HH2 ARG 94 11.025 7.133 -11.969 741 H GLY 95 H GLY 95 9.038 1.645 -11.925 742 HA2 GLY 95 1HA GLY 95 10.278 1.134 -13.848 743 HA3 GLY 95 2HA GLY 95 10.715 -0.409 -13.130 744 H THR 96 H THR 96 7.653 -0.569 -12.520 745 HA THR 96 HA THR 96 7.053 -2.133 -14.865 746 HB THR 96 HB THR 96 6.130 -3.228 -13.095 747 HG1 THR 96 1HG THR 96 3.942 -1.459 -13.372 748 HG21 THR 96 1HG2 THR 96 4.909 -1.866 -11.233 749 HG22 THR 96 2HG2 THR 96 5.827 -0.509 -11.885 750 HG23 THR 96 3HG2 THR 96 6.670 -1.925 -11.259 751 H GLY 97 H GLY 97 6.293 1.030 -13.658 752 HA2 GLY 97 1HA GLY 97 4.332 1.379 -15.839 753 HA3 GLY 97 2HA GLY 97 4.329 2.308 -14.347 754 H SER 98 H SER 98 5.128 4.289 -14.480 755 HA SER 98 HA SER 98 7.390 4.837 -16.233 756 HB2 SER 98 1HB SER 98 6.326 6.650 -17.398 757 HB3 SER 98 2HB SER 98 5.291 5.233 -17.567 758 HG SER 98 HG SER 98 3.938 6.067 -15.989 759 H GLY 99 H GLY 99 8.343 6.974 -15.842 760 HA2 GLY 99 1HA GLY 99 7.523 8.639 -13.714 761 HA3 GLY 99 2HA GLY 99 8.716 7.492 -13.123 762 HA PRO 100 HA PRO 100 10.906 11.232 -14.821 763 HB2 PRO 100 1HB PRO 100 12.467 11.620 -12.634 764 HB3 PRO 100 2HB PRO 100 10.851 12.316 -12.796 765 HG2 PRO 100 1HG PRO 100 11.718 9.865 -11.312 766 HG3 PRO 100 2HG PRO 100 10.587 11.135 -10.810 767 HD2 PRO 100 1HD PRO 100 9.759 8.743 -11.773 768 HD3 PRO 100 2HD PRO 100 8.849 10.245 -12.035 769 H SER 101 H SER 101 12.360 10.533 -16.258 770 HA SER 101 HA SER 101 14.050 8.274 -15.785 771 HB2 SER 101 1HB SER 101 13.116 9.033 -18.037 772 HB3 SER 101 2HB SER 101 14.361 10.281 -18.019 773 HG SER 101 HG SER 101 14.969 8.316 -19.119 774 H SER 102 H SER 102 15.153 8.987 -13.867 775 HA SER 102 HA SER 102 17.686 10.169 -14.443 776 HB2 SER 102 1HB SER 102 17.559 12.167 -13.176 777 HB3 SER 102 2HB SER 102 16.105 12.165 -14.173 778 HG SER 102 HG SER 102 15.128 11.101 -12.221 779 H GLY 103 H GLY 103 19.186 9.418 -13.056 780 HA2 GLY 103 1HA GLY 103 19.904 8.875 -10.813 781 HA3 GLY 103 2HA GLY 103 18.264 8.346 -10.469 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.203 -24.701 -6.284 2 HA2 GLY 1 1HA GLY 1 9.671 -24.190 -3.513 3 HA3 GLY 1 2HA GLY 1 11.083 -23.795 -4.483 4 H SER 2 H SER 2 10.148 -22.656 -6.697 5 HA SER 2 HA SER 2 9.287 -20.097 -5.777 6 HB2 SER 2 1HB SER 2 10.836 -20.468 -7.716 7 HB3 SER 2 2HB SER 2 9.457 -21.070 -8.637 8 HG SER 2 HG SER 2 8.548 -18.874 -7.838 9 H SER 3 H SER 3 7.255 -20.567 -4.805 10 HA SER 3 HA SER 3 5.092 -21.311 -6.640 11 HB2 SER 3 1HB SER 3 3.735 -21.522 -4.538 12 HB3 SER 3 2HB SER 3 5.119 -22.611 -4.610 13 HG SER 3 HG SER 3 4.961 -21.572 -2.581 14 H GLY 4 H GLY 4 4.102 -19.682 -7.624 15 HA2 GLY 4 1HA GLY 4 2.571 -17.746 -6.540 16 HA3 GLY 4 2HA GLY 4 4.166 -17.007 -6.515 17 H SER 5 H SER 5 2.183 -15.803 -7.927 18 HA SER 5 HA SER 5 2.501 -16.587 -10.723 19 HB2 SER 5 1HB SER 5 0.242 -15.991 -9.740 20 HB3 SER 5 2HB SER 5 0.815 -14.327 -9.633 21 HG SER 5 HG SER 5 0.384 -14.123 -11.668 22 H SER 6 H SER 6 4.553 -15.958 -11.278 23 HA SER 6 HA SER 6 5.272 -13.140 -10.878 24 HB2 SER 6 1HB SER 6 7.061 -15.397 -11.804 25 HB3 SER 6 2HB SER 6 7.561 -13.790 -11.278 26 HG SER 6 HG SER 6 7.626 -15.687 -9.729 27 H GLY 7 H GLY 7 5.274 -11.753 -12.528 28 HA2 GLY 7 1HA GLY 7 5.141 -12.870 -15.262 29 HA3 GLY 7 2HA GLY 7 4.210 -11.469 -14.756 30 H GLN 8 H GLN 8 5.009 -9.578 -15.360 31 HA GLN 8 HA GLN 8 7.904 -9.388 -15.866 32 HB2 GLN 8 1HB GLN 8 5.536 -8.309 -17.310 33 HB3 GLN 8 2HB GLN 8 6.990 -7.321 -17.279 34 HG2 GLN 8 1HG GLN 8 7.184 -10.190 -18.060 35 HG3 GLN 8 2HG GLN 8 6.574 -9.009 -19.217 36 HE21 GLN 8 1HE2 GLN 8 7.989 -6.967 -19.308 37 HE22 GLN 8 2HE2 GLN 8 9.691 -7.247 -19.414 38 H ASP 9 H ASP 9 6.348 -8.902 -13.357 39 HA ASP 9 HA ASP 9 6.119 -6.162 -12.824 40 HB2 ASP 9 1HB ASP 9 6.979 -8.058 -10.674 41 HB3 ASP 9 2HB ASP 9 5.796 -6.755 -10.607 42 H PHE 10 H PHE 10 7.582 -5.382 -10.761 43 HA PHE 10 HA PHE 10 10.388 -5.622 -11.621 44 HB2 PHE 10 1HB PHE 10 9.562 -3.045 -10.431 45 HB3 PHE 10 2HB PHE 10 10.678 -3.371 -11.753 46 HD1 PHE 10 2HD PHE 10 9.145 -4.703 -13.746 47 HD2 PHE 10 1HD PHE 10 7.949 -1.572 -11.122 48 HE1 PHE 10 2HE PHE 10 7.429 -4.006 -15.365 49 HE2 PHE 10 1HE PHE 10 6.230 -0.870 -12.737 50 HZ PHE 10 HZ PHE 10 5.969 -2.087 -14.862 51 H ASP 11 H ASP 11 11.688 -4.238 -9.753 52 HA ASP 11 HA ASP 11 12.082 -5.851 -7.639 53 HB2 ASP 11 1HB ASP 11 13.309 -4.164 -6.667 54 HB3 ASP 11 2HB ASP 11 13.156 -3.526 -8.302 55 H TYR 12 H TYR 12 10.987 -6.544 -5.925 56 HA TYR 12 HA TYR 12 8.410 -5.311 -5.320 57 HB2 TYR 12 1HB TYR 12 9.656 -7.957 -4.590 58 HB3 TYR 12 2HB TYR 12 8.169 -7.386 -3.841 59 HD1 TYR 12 1HD TYR 12 6.670 -6.215 -6.006 60 HD2 TYR 12 2HD TYR 12 9.128 -9.688 -6.028 61 HE1 TYR 12 1HE TYR 12 5.371 -7.115 -7.891 62 HE2 TYR 12 2HE TYR 12 7.837 -10.597 -7.914 63 HH TYR 12 HH TYR 12 5.944 -10.365 -9.131 64 H PHE 13 H PHE 13 9.200 -3.449 -4.243 65 HA PHE 13 HA PHE 13 10.473 -3.955 -1.641 66 HB2 PHE 13 1HB PHE 13 11.316 -1.732 -1.689 67 HB3 PHE 13 2HB PHE 13 11.596 -2.393 -3.296 68 HD1 PHE 13 1HD PHE 13 10.326 -1.602 -5.207 69 HD2 PHE 13 2HD PHE 13 9.730 0.039 -1.326 70 HE1 PHE 13 1HE PHE 13 9.129 0.304 -6.201 71 HE2 PHE 13 2HE PHE 13 8.531 1.947 -2.313 72 HZ PHE 13 HZ PHE 13 8.229 2.082 -4.753 73 H THR 14 H THR 14 9.735 -2.713 0.198 74 HA THR 14 HA THR 14 6.832 -2.299 0.107 75 HB THR 14 HB THR 14 6.921 -2.437 2.575 76 HG1 THR 14 1HG THR 14 8.893 -3.022 3.554 77 HG21 THR 14 1HG2 THR 14 6.438 -4.483 1.497 78 HG22 THR 14 2HG2 THR 14 7.692 -4.862 2.680 79 HG23 THR 14 3HG2 THR 14 8.109 -4.692 0.975 80 H VAL 15 H VAL 15 5.887 -0.490 1.213 81 HA VAL 15 HA VAL 15 7.652 1.868 1.222 82 HB VAL 15 HB VAL 15 4.661 1.746 0.805 83 HG11 VAL 15 1HG1 VAL 15 5.171 3.798 1.887 84 HG12 VAL 15 2HG1 VAL 15 6.589 4.058 0.869 85 HG13 VAL 15 3HG1 VAL 15 4.972 4.160 0.172 86 HG21 VAL 15 1HG2 VAL 15 5.524 0.981 -1.194 87 HG22 VAL 15 2HG2 VAL 15 5.461 2.720 -1.478 88 HG23 VAL 15 3HG2 VAL 15 6.991 1.951 -1.055 89 H ASP 16 H ASP 16 7.632 3.277 2.936 90 HA ASP 16 HA ASP 16 5.888 2.642 5.210 91 HB2 ASP 16 1HB ASP 16 8.078 1.557 5.592 92 HB3 ASP 16 2HB ASP 16 8.868 3.123 5.424 93 H MET 17 H MET 17 4.749 4.409 5.621 94 HA MET 17 HA MET 17 6.103 6.960 5.916 95 HB2 MET 17 1HB MET 17 3.620 7.082 4.290 96 HB3 MET 17 2HB MET 17 5.034 8.127 4.263 97 HG2 MET 17 1HG MET 17 6.287 6.343 3.109 98 HG3 MET 17 2HG MET 17 4.815 5.375 3.068 99 HE1 MET 17 1HE MET 17 2.607 6.531 2.416 100 HE2 MET 17 2HE MET 17 2.723 8.283 2.252 101 HE3 MET 17 3HE MET 17 2.447 7.280 0.827 102 H GLU 18 H GLU 18 4.371 8.679 6.584 103 HA GLU 18 HA GLU 18 2.496 7.377 8.449 104 HB2 GLU 18 1HB GLU 18 4.442 9.588 8.836 105 HB3 GLU 18 2HB GLU 18 2.893 9.738 9.654 106 HG2 GLU 18 1HG GLU 18 3.295 7.982 11.048 107 HG3 GLU 18 2HG GLU 18 4.358 7.170 9.900 108 H LYS 19 H LYS 19 0.818 9.097 9.244 109 HA LYS 19 HA LYS 19 -0.539 10.030 6.862 110 HB2 LYS 19 1HB LYS 19 -1.666 8.815 8.786 111 HB3 LYS 19 2HB LYS 19 -1.473 10.292 9.720 112 HG2 LYS 19 1HG LYS 19 -2.986 11.468 8.416 113 HG3 LYS 19 2HG LYS 19 -2.840 10.345 7.061 114 HD2 LYS 19 1HD LYS 19 -4.013 9.561 9.721 115 HD3 LYS 19 2HD LYS 19 -4.985 10.208 8.397 116 HE2 LYS 19 1HE LYS 19 -3.978 8.353 6.972 117 HE3 LYS 19 2HE LYS 19 -3.410 7.648 8.485 118 HZ1 LYS 19 1HZ LYS 19 -5.849 7.242 7.348 119 HZ2 LYS 19 2HZ LYS 19 -6.181 8.359 8.574 120 HZ3 LYS 19 3HZ LYS 19 -5.433 6.889 8.950 121 H GLY 20 H GLY 20 -1.491 12.194 6.745 122 HA2 GLY 20 1HA GLY 20 0.252 14.201 8.040 123 HA3 GLY 20 2HA GLY 20 -0.351 14.359 6.397 124 H ALA 21 H ALA 21 -1.825 15.905 6.282 125 HA ALA 21 HA ALA 21 -3.406 16.637 8.588 126 HB1 ALA 21 1HB ALA 21 -2.385 18.080 6.543 127 HB2 ALA 21 2HB ALA 21 -4.049 17.870 5.996 128 HB3 ALA 21 3HB ALA 21 -3.722 18.614 7.562 129 H LYS 22 H LYS 22 -4.168 15.661 5.240 130 HA LYS 22 HA LYS 22 -6.746 14.633 6.233 131 HB2 LYS 22 1HB LYS 22 -6.002 15.892 3.600 132 HB3 LYS 22 2HB LYS 22 -7.454 14.916 3.781 133 HG2 LYS 22 1HG LYS 22 -8.085 16.477 5.682 134 HG3 LYS 22 2HG LYS 22 -6.790 17.527 5.101 135 HD2 LYS 22 1HD LYS 22 -8.901 16.520 3.228 136 HD3 LYS 22 2HD LYS 22 -9.203 17.924 4.254 137 HE2 LYS 22 1HE LYS 22 -6.749 17.751 2.539 138 HE3 LYS 22 2HE LYS 22 -8.286 18.304 1.875 139 HZ1 LYS 22 1HZ LYS 22 -7.656 19.597 4.341 140 HZ2 LYS 22 2HZ LYS 22 -8.044 20.274 2.841 141 HZ3 LYS 22 3HZ LYS 22 -6.446 19.840 3.184 142 H GLY 23 H GLY 23 -4.200 13.208 6.180 143 HA2 GLY 23 1HA GLY 23 -4.457 10.727 5.833 144 HA3 GLY 23 2HA GLY 23 -4.829 11.140 4.166 145 H PHE 24 H PHE 24 -3.026 9.610 3.778 146 HA PHE 24 HA PHE 24 -0.363 10.505 4.434 147 HB2 PHE 24 1HB PHE 24 -1.336 8.250 2.669 148 HB3 PHE 24 2HB PHE 24 0.352 8.547 3.070 149 HD1 PHE 24 2HD PHE 24 -2.948 7.769 4.570 150 HD2 PHE 24 1HD PHE 24 1.283 7.679 5.020 151 HE1 PHE 24 2HE PHE 24 -3.197 6.409 6.605 152 HE2 PHE 24 1HE PHE 24 1.041 6.317 7.056 153 HZ PHE 24 HZ PHE 24 -1.201 5.681 7.851 154 H GLY 25 H GLY 25 -1.765 12.459 3.010 155 HA2 GLY 25 1HA GLY 25 -1.817 13.624 0.982 156 HA3 GLY 25 2HA GLY 25 -0.086 13.556 1.279 157 H PHE 26 H PHE 26 -2.239 10.892 0.396 158 HA PHE 26 HA PHE 26 -1.239 10.851 -2.322 159 HB2 PHE 26 1HB PHE 26 0.017 8.927 -2.240 160 HB3 PHE 26 2HB PHE 26 0.358 9.572 -0.637 161 HD1 PHE 26 2HD PHE 26 -2.161 7.394 -2.322 162 HD2 PHE 26 1HD PHE 26 0.210 8.130 1.135 163 HE1 PHE 26 2HE PHE 26 -2.995 5.312 -1.312 164 HE2 PHE 26 1HE PHE 26 -0.619 6.047 2.150 165 HZ PHE 26 HZ PHE 26 -2.224 4.636 0.928 166 H SER 27 H SER 27 -2.543 9.712 -3.723 167 HA SER 27 HA SER 27 -4.955 8.507 -2.531 168 HB2 SER 27 1HB SER 27 -5.469 10.630 -3.649 169 HB3 SER 27 2HB SER 27 -4.721 10.041 -5.133 170 HG SER 27 HG SER 27 -6.905 8.752 -3.869 171 H ILE 28 H ILE 28 -6.051 6.918 -3.976 172 HA ILE 28 HA ILE 28 -4.092 5.409 -5.579 173 HB ILE 28 HB ILE 28 -5.762 3.446 -4.786 174 HG12 ILE 28 1HG1 ILE 28 -5.454 5.123 -2.300 175 HG13 ILE 28 2HG1 ILE 28 -6.904 5.197 -3.296 176 HG21 ILE 28 1HG2 ILE 28 -3.990 2.638 -3.510 177 HG22 ILE 28 2HG2 ILE 28 -3.209 3.723 -4.659 178 HG23 ILE 28 3HG2 ILE 28 -3.494 4.252 -3.001 179 HD11 ILE 28 1HD1 ILE 28 -7.164 2.744 -2.965 180 HD12 ILE 28 2HD1 ILE 28 -5.825 2.813 -1.819 181 HD13 ILE 28 3HD1 ILE 28 -7.312 3.703 -1.493 182 H ARG 29 H ARG 29 -5.215 3.779 -7.045 183 HA ARG 29 HA ARG 29 -7.856 4.602 -7.946 184 HB2 ARG 29 1HB ARG 29 -7.238 5.138 -10.161 185 HB3 ARG 29 2HB ARG 29 -6.105 6.012 -9.138 186 HG2 ARG 29 1HG ARG 29 -4.327 4.727 -9.767 187 HG3 ARG 29 2HG ARG 29 -5.327 3.315 -10.109 188 HD2 ARG 29 1HD ARG 29 -4.813 3.944 -12.242 189 HD3 ARG 29 2HD ARG 29 -6.281 4.890 -12.001 190 HE ARG 29 HE ARG 29 -4.216 6.506 -11.175 191 HH11 ARG 29 2HH1 ARG 29 -5.116 4.871 -14.114 192 HH12 ARG 29 1HH1 ARG 29 -4.376 6.047 -15.148 193 HH21 ARG 29 2HH2 ARG 29 -3.237 8.061 -12.526 194 HH22 ARG 29 1HH2 ARG 29 -3.307 7.860 -14.244 195 H GLY 30 H GLY 30 -8.828 3.094 -9.437 196 HA2 GLY 30 1HA GLY 30 -9.111 1.021 -10.446 197 HA3 GLY 30 2HA GLY 30 -7.458 0.615 -10.009 198 H GLY 31 H GLY 31 -8.729 -1.477 -9.618 199 HA2 GLY 31 1HA GLY 31 -8.619 -2.526 -7.259 200 HA3 GLY 31 2HA GLY 31 -9.986 -1.462 -6.958 201 H ARG 32 H ARG 32 -10.389 -4.066 -6.521 202 HA ARG 32 HA ARG 32 -11.165 -5.689 -8.637 203 HB2 ARG 32 1HB ARG 32 -11.932 -5.512 -5.756 204 HB3 ARG 32 2HB ARG 32 -12.876 -6.552 -6.813 205 HG2 ARG 32 1HG ARG 32 -9.888 -6.750 -6.650 206 HG3 ARG 32 2HG ARG 32 -10.952 -7.614 -5.539 207 HD2 ARG 32 1HD ARG 32 -11.358 -7.820 -8.496 208 HD3 ARG 32 2HD ARG 32 -10.123 -8.792 -7.699 209 HE ARG 32 HE ARG 32 -12.736 -8.955 -6.492 210 HH11 ARG 32 2HH1 ARG 32 -10.568 -10.270 -8.877 211 HH12 ARG 32 1HH1 ARG 32 -11.354 -11.813 -8.931 212 HH21 ARG 32 2HH2 ARG 32 -13.780 -10.982 -6.553 213 HH22 ARG 32 1HH2 ARG 32 -13.181 -12.217 -7.609 214 H GLU 33 H GLU 33 -12.595 -2.815 -7.491 215 HA GLU 33 HA GLU 33 -15.283 -3.339 -8.293 216 HB2 GLU 33 1HB GLU 33 -14.491 -1.576 -6.630 217 HB3 GLU 33 2HB GLU 33 -14.013 -0.619 -8.025 218 HG2 GLU 33 1HG GLU 33 -16.104 0.211 -7.523 219 HG3 GLU 33 2HG GLU 33 -16.443 -0.947 -8.808 220 H TYR 34 H TYR 34 -12.435 -2.051 -9.860 221 HA TYR 34 HA TYR 34 -14.000 -1.588 -12.308 222 HB2 TYR 34 1HB TYR 34 -11.194 -0.608 -11.815 223 HB3 TYR 34 2HB TYR 34 -12.351 -0.040 -13.013 224 HD1 TYR 34 1HD TYR 34 -14.512 1.066 -12.093 225 HD2 TYR 34 2HD TYR 34 -10.970 0.526 -9.798 226 HE1 TYR 34 1HE TYR 34 -15.251 2.831 -10.548 227 HE2 TYR 34 2HE TYR 34 -11.700 2.289 -8.246 228 HH TYR 34 HH TYR 34 -14.205 3.257 -7.607 229 H LYS 35 H LYS 35 -12.388 -3.996 -10.964 230 HA LYS 35 HA LYS 35 -11.401 -5.894 -11.738 231 HB2 LYS 35 1HB LYS 35 -12.072 -4.818 -14.483 232 HB3 LYS 35 2HB LYS 35 -11.659 -6.482 -14.088 233 HG2 LYS 35 1HG LYS 35 -13.924 -6.654 -14.178 234 HG3 LYS 35 2HG LYS 35 -13.728 -6.251 -12.471 235 HD2 LYS 35 1HD LYS 35 -14.343 -4.001 -12.829 236 HD3 LYS 35 2HD LYS 35 -14.165 -4.150 -14.579 237 HE2 LYS 35 1HE LYS 35 -16.063 -5.739 -14.591 238 HE3 LYS 35 2HE LYS 35 -16.265 -5.469 -12.861 239 HZ1 LYS 35 1HZ LYS 35 -16.613 -3.491 -15.042 240 HZ2 LYS 35 2HZ LYS 35 -16.573 -3.070 -13.404 241 HZ3 LYS 35 3HZ LYS 35 -17.798 -4.080 -13.988 242 H MET 36 H MET 36 -9.751 -3.734 -11.119 243 HA MET 36 HA MET 36 -7.438 -4.390 -12.757 244 HB2 MET 36 1HB MET 36 -6.807 -2.037 -13.062 245 HB3 MET 36 2HB MET 36 -8.337 -2.400 -13.849 246 HG2 MET 36 1HG MET 36 -9.349 -1.533 -11.597 247 HG3 MET 36 2HG MET 36 -7.786 -0.733 -11.449 248 HE1 MET 36 1HE MET 36 -7.165 1.137 -12.198 249 HE2 MET 36 2HE MET 36 -7.721 2.097 -13.569 250 HE3 MET 36 3HE MET 36 -8.592 2.161 -12.036 251 H ASP 37 H ASP 37 -5.405 -3.502 -11.782 252 HA ASP 37 HA ASP 37 -5.365 -4.090 -8.990 253 HB2 ASP 37 1HB ASP 37 -3.115 -2.855 -10.576 254 HB3 ASP 37 2HB ASP 37 -3.000 -3.851 -9.128 255 H LEU 38 H LEU 38 -4.094 -2.581 -7.479 256 HA LEU 38 HA LEU 38 -5.401 0.031 -7.588 257 HB2 LEU 38 1HB LEU 38 -4.026 -1.490 -5.388 258 HB3 LEU 38 2HB LEU 38 -4.537 0.188 -5.210 259 HG LEU 38 HG LEU 38 -6.564 -1.832 -6.036 260 HD11 LEU 38 1HD1 LEU 38 -6.254 -3.096 -4.237 261 HD12 LEU 38 2HD1 LEU 38 -6.723 -1.704 -3.261 262 HD13 LEU 38 3HD1 LEU 38 -5.020 -2.004 -3.606 263 HD21 LEU 38 1HD2 LEU 38 -6.805 0.754 -5.728 264 HD22 LEU 38 2HD2 LEU 38 -6.914 0.337 -4.018 265 HD23 LEU 38 3HD2 LEU 38 -8.074 -0.334 -5.166 266 H TYR 39 H TYR 39 -4.322 1.716 -8.344 267 HA TYR 39 HA TYR 39 -1.387 1.750 -8.068 268 HB2 TYR 39 1HB TYR 39 -2.867 3.293 -10.180 269 HB3 TYR 39 2HB TYR 39 -1.177 2.801 -10.153 270 HD1 TYR 39 1HD TYR 39 -4.633 1.451 -10.423 271 HD2 TYR 39 2HD TYR 39 -0.501 0.838 -11.231 272 HE1 TYR 39 1HE TYR 39 -5.196 -0.530 -11.769 273 HE2 TYR 39 2HE TYR 39 -1.053 -1.143 -12.579 274 HH TYR 39 HH TYR 39 -4.295 -1.913 -13.475 275 H VAL 40 H VAL 40 -0.475 4.020 -8.123 276 HA VAL 40 HA VAL 40 -1.824 5.579 -6.099 277 HB VAL 40 HB VAL 40 0.801 6.064 -7.514 278 HG11 VAL 40 1HG1 VAL 40 1.128 7.934 -6.284 279 HG12 VAL 40 2HG1 VAL 40 -0.636 7.975 -6.293 280 HG13 VAL 40 3HG1 VAL 40 0.224 7.315 -4.902 281 HG21 VAL 40 1HG2 VAL 40 1.289 5.491 -4.854 282 HG22 VAL 40 2HG2 VAL 40 0.015 4.356 -5.301 283 HG23 VAL 40 3HG2 VAL 40 1.521 4.396 -6.217 284 H LEU 41 H LEU 41 -3.553 6.663 -6.898 285 HA LEU 41 HA LEU 41 -3.935 7.733 -9.397 286 HB2 LEU 41 1HB LEU 41 -5.611 7.578 -7.551 287 HB3 LEU 41 2HB LEU 41 -4.869 9.004 -6.829 288 HG LEU 41 HG LEU 41 -6.994 9.389 -8.135 289 HD11 LEU 41 1HD1 LEU 41 -5.320 11.145 -7.569 290 HD12 LEU 41 2HD1 LEU 41 -6.239 11.469 -9.038 291 HD13 LEU 41 3HD1 LEU 41 -4.580 10.880 -9.148 292 HD21 LEU 41 1HD2 LEU 41 -5.944 7.804 -10.013 293 HD22 LEU 41 2HD2 LEU 41 -5.415 9.367 -10.637 294 HD23 LEU 41 3HD2 LEU 41 -7.132 9.057 -10.371 295 H ARG 42 H ARG 42 -2.990 9.697 -6.569 296 HA ARG 42 HA ARG 42 -1.101 11.171 -8.224 297 HB2 ARG 42 1HB ARG 42 -2.036 13.352 -7.583 298 HB3 ARG 42 2HB ARG 42 -3.179 12.409 -8.530 299 HG2 ARG 42 1HG ARG 42 -4.579 13.145 -6.908 300 HG3 ARG 42 2HG ARG 42 -3.999 11.677 -6.119 301 HD2 ARG 42 1HD ARG 42 -3.835 13.354 -4.485 302 HD3 ARG 42 2HD ARG 42 -2.191 13.137 -5.086 303 HE ARG 42 HE ARG 42 -3.302 15.161 -6.598 304 HH11 ARG 42 2HH1 ARG 42 -2.601 14.582 -3.238 305 HH12 ARG 42 1HH1 ARG 42 -2.352 16.255 -2.866 306 HH21 ARG 42 2HH2 ARG 42 -2.977 17.368 -6.122 307 HH22 ARG 42 1HH2 ARG 42 -2.567 17.839 -4.507 308 H LEU 43 H LEU 43 -0.235 13.093 -6.671 309 HA LEU 43 HA LEU 43 0.197 11.972 -3.992 310 HB2 LEU 43 1HB LEU 43 2.201 12.533 -6.092 311 HB3 LEU 43 2HB LEU 43 2.621 13.021 -4.452 312 HG LEU 43 HG LEU 43 1.941 10.227 -5.369 313 HD11 LEU 43 1HD1 LEU 43 4.099 10.612 -6.113 314 HD12 LEU 43 2HD1 LEU 43 4.360 9.910 -4.517 315 HD13 LEU 43 3HD1 LEU 43 4.496 11.653 -4.746 316 HD21 LEU 43 1HD2 LEU 43 1.180 10.236 -3.192 317 HD22 LEU 43 2HD2 LEU 43 2.364 11.433 -2.669 318 HD23 LEU 43 3HD2 LEU 43 2.868 9.770 -2.977 319 H ALA 44 H ALA 44 0.629 13.477 -2.367 320 HA ALA 44 HA ALA 44 -0.299 16.166 -2.960 321 HB1 ALA 44 1HB ALA 44 -0.078 16.382 -0.409 322 HB2 ALA 44 2HB ALA 44 -1.325 15.311 -1.051 323 HB3 ALA 44 3HB ALA 44 0.181 14.637 -0.427 324 H GLU 45 H GLU 45 1.049 17.772 -3.400 325 HA GLU 45 HA GLU 45 3.843 17.553 -3.322 326 HB2 GLU 45 1HB GLU 45 3.905 19.871 -3.931 327 HB3 GLU 45 2HB GLU 45 2.541 19.131 -4.759 328 HG2 GLU 45 1HG GLU 45 1.077 20.013 -2.924 329 HG3 GLU 45 2HG GLU 45 2.473 20.919 -2.345 330 H ASP 46 H ASP 46 1.555 18.471 -0.905 331 HA ASP 46 HA ASP 46 3.759 19.280 0.876 332 HB2 ASP 46 1HB ASP 46 1.819 20.933 0.265 333 HB3 ASP 46 2HB ASP 46 0.901 19.988 1.434 334 H GLY 47 H GLY 47 2.629 16.570 0.248 335 HA2 GLY 47 1HA GLY 47 1.574 15.848 2.901 336 HA3 GLY 47 2HA GLY 47 1.408 14.879 1.444 337 HA PRO 48 HA PRO 48 5.081 13.532 4.133 338 HB2 PRO 48 1HB PRO 48 4.031 11.200 5.046 339 HB3 PRO 48 2HB PRO 48 3.855 12.735 5.905 340 HG2 PRO 48 1HG PRO 48 1.913 11.339 4.105 341 HG3 PRO 48 2HG PRO 48 1.618 12.153 5.652 342 HD2 PRO 48 1HD PRO 48 1.080 13.317 3.267 343 HD3 PRO 48 2HD PRO 48 1.595 14.247 4.689 344 H ALA 49 H ALA 49 2.904 11.968 1.880 345 HA ALA 49 HA ALA 49 4.524 9.751 1.223 346 HB1 ALA 49 1HB ALA 49 2.041 10.183 0.687 347 HB2 ALA 49 2HB ALA 49 2.652 11.036 -0.731 348 HB3 ALA 49 3HB ALA 49 3.023 9.327 -0.502 349 H ILE 50 H ILE 50 3.881 12.611 -0.813 350 HA ILE 50 HA ILE 50 5.797 12.268 -2.713 351 HB ILE 50 HB ILE 50 4.072 14.215 -2.332 352 HG12 ILE 50 1HG1 ILE 50 6.631 15.025 -3.673 353 HG13 ILE 50 2HG1 ILE 50 5.703 13.669 -4.301 354 HG21 ILE 50 1HG2 ILE 50 6.608 15.590 -1.477 355 HG22 ILE 50 2HG2 ILE 50 4.979 16.261 -1.555 356 HG23 ILE 50 3HG2 ILE 50 5.375 15.045 -0.340 357 HD11 ILE 50 1HD1 ILE 50 5.245 16.509 -4.564 358 HD12 ILE 50 2HD1 ILE 50 4.566 15.162 -5.478 359 HD13 ILE 50 3HD1 ILE 50 3.821 15.662 -3.960 360 H ARG 51 H ARG 51 6.303 13.005 0.607 361 HA ARG 51 HA ARG 51 9.013 13.963 0.213 362 HB2 ARG 51 1HB ARG 51 7.412 13.394 2.712 363 HB3 ARG 51 2HB ARG 51 9.059 14.012 2.716 364 HG2 ARG 51 1HG ARG 51 8.415 16.065 1.804 365 HG3 ARG 51 2HG ARG 51 6.853 15.438 1.274 366 HD2 ARG 51 1HD ARG 51 6.426 16.778 3.178 367 HD3 ARG 51 2HD ARG 51 6.294 15.102 3.708 368 HE ARG 51 HE ARG 51 8.022 15.486 5.141 369 HH11 ARG 51 2HH1 ARG 51 8.123 17.885 2.621 370 HH12 ARG 51 1HH1 ARG 51 9.429 18.771 3.337 371 HH21 ARG 51 2HH2 ARG 51 9.742 16.643 6.094 372 HH22 ARG 51 1HH2 ARG 51 10.349 18.063 5.311 373 H ASN 52 H ASN 52 7.351 11.035 1.180 374 HA ASN 52 HA ASN 52 9.460 9.611 2.307 375 HB2 ASN 52 1HB ASN 52 7.563 8.395 2.584 376 HB3 ASN 52 2HB ASN 52 6.871 8.938 1.058 377 HD21 ASN 52 1HD2 ASN 52 6.539 7.351 -0.301 378 HD22 ASN 52 2HD2 ASN 52 7.516 5.937 -0.485 379 H GLY 53 H GLY 53 8.317 9.462 -1.075 380 HA2 GLY 53 1HA GLY 53 9.748 9.495 -2.965 381 HA3 GLY 53 2HA GLY 53 11.089 9.038 -1.925 382 H ARG 54 H ARG 54 10.336 6.802 -0.701 383 HA ARG 54 HA ARG 54 10.862 4.734 -2.312 384 HB2 ARG 54 1HB ARG 54 8.941 4.820 0.008 385 HB3 ARG 54 2HB ARG 54 9.375 3.317 -0.794 386 HG2 ARG 54 1HG ARG 54 11.821 4.147 -0.321 387 HG3 ARG 54 2HG ARG 54 11.017 5.089 0.937 388 HD2 ARG 54 1HD ARG 54 11.438 3.187 2.117 389 HD3 ARG 54 2HD ARG 54 9.870 2.757 1.435 390 HE ARG 54 HE ARG 54 11.653 1.857 -0.409 391 HH11 ARG 54 2HH1 ARG 54 11.250 1.385 3.017 392 HH12 ARG 54 1HH1 ARG 54 11.920 -0.213 3.008 393 HH21 ARG 54 2HH2 ARG 54 12.537 -0.246 -0.434 394 HH22 ARG 54 1HH2 ARG 54 12.653 -1.139 1.045 395 H MET 55 H MET 55 7.823 6.433 -2.173 396 HA MET 55 HA MET 55 6.810 4.701 -4.331 397 HB2 MET 55 1HB MET 55 4.657 4.739 -3.469 398 HB3 MET 55 2HB MET 55 5.634 4.638 -2.010 399 HG2 MET 55 1HG MET 55 4.191 6.279 -1.399 400 HG3 MET 55 2HG MET 55 5.469 7.258 -2.116 401 HE1 MET 55 1HE MET 55 1.200 6.707 -3.274 402 HE2 MET 55 2HE MET 55 2.113 6.180 -1.860 403 HE3 MET 55 3HE MET 55 1.715 7.886 -2.068 404 H ARG 56 H ARG 56 5.268 5.785 -5.798 405 HA ARG 56 HA ARG 56 5.308 8.671 -5.887 406 HB2 ARG 56 1HB ARG 56 7.007 7.000 -7.664 407 HB3 ARG 56 2HB ARG 56 6.166 8.357 -8.401 408 HG2 ARG 56 1HG ARG 56 8.061 9.432 -7.816 409 HG3 ARG 56 2HG ARG 56 7.197 9.613 -6.288 410 HD2 ARG 56 1HD ARG 56 9.151 8.780 -5.481 411 HD3 ARG 56 2HD ARG 56 8.330 7.257 -5.818 412 HE ARG 56 HE ARG 56 9.952 8.314 -7.974 413 HH11 ARG 56 2HH1 ARG 56 9.766 6.194 -5.219 414 HH12 ARG 56 1HH1 ARG 56 11.097 5.206 -5.724 415 HH21 ARG 56 2HH2 ARG 56 11.705 7.021 -8.650 416 HH22 ARG 56 1HH2 ARG 56 12.200 5.678 -7.676 417 H VAL 57 H VAL 57 4.414 9.234 -8.318 418 HA VAL 57 HA VAL 57 1.815 7.943 -8.367 419 HB VAL 57 HB VAL 57 2.827 10.220 -10.074 420 HG11 VAL 57 1HG1 VAL 57 0.477 8.656 -10.215 421 HG12 VAL 57 2HG1 VAL 57 0.015 10.250 -9.616 422 HG13 VAL 57 3HG1 VAL 57 0.886 10.099 -11.142 423 HG21 VAL 57 1HG2 VAL 57 1.311 11.533 -8.435 424 HG22 VAL 57 2HG2 VAL 57 1.557 10.153 -7.364 425 HG23 VAL 57 3HG2 VAL 57 2.940 11.091 -7.926 426 H GLY 58 H GLY 58 1.066 6.597 -9.913 427 HA2 GLY 58 1HA GLY 58 0.986 5.717 -12.126 428 HA3 GLY 58 2HA GLY 58 2.646 6.243 -12.363 429 H ASP 59 H ASP 59 2.323 4.824 -9.354 430 HA ASP 59 HA ASP 59 3.681 2.426 -10.292 431 HB2 ASP 59 1HB ASP 59 3.150 3.430 -7.487 432 HB3 ASP 59 2HB ASP 59 4.114 2.012 -7.891 433 H GLN 60 H GLN 60 3.064 0.301 -9.525 434 HA GLN 60 HA GLN 60 0.146 0.059 -9.237 435 HB2 GLN 60 1HB GLN 60 1.290 -0.933 -11.277 436 HB3 GLN 60 2HB GLN 60 2.032 -2.094 -10.185 437 HG2 GLN 60 1HG GLN 60 -0.916 -1.782 -10.087 438 HG3 GLN 60 2HG GLN 60 -0.211 -2.614 -11.473 439 HE21 GLN 60 1HE2 GLN 60 -1.394 -2.991 -8.408 440 HE22 GLN 60 2HE2 GLN 60 -0.706 -4.530 -8.030 441 H ILE 61 H ILE 61 -0.403 -0.251 -7.181 442 HA ILE 61 HA ILE 61 1.379 -1.547 -5.315 443 HB ILE 61 HB ILE 61 -1.472 -0.705 -4.812 444 HG12 ILE 61 1HG1 ILE 61 0.859 1.016 -4.079 445 HG13 ILE 61 2HG1 ILE 61 0.271 1.057 -5.738 446 HG21 ILE 61 1HG2 ILE 61 -0.448 -2.187 -3.142 447 HG22 ILE 61 2HG2 ILE 61 0.873 -1.036 -2.946 448 HG23 ILE 61 3HG2 ILE 61 -0.769 -0.580 -2.492 449 HD11 ILE 61 1HD1 ILE 61 -0.630 2.735 -3.961 450 HD12 ILE 61 2HD1 ILE 61 -1.720 2.020 -5.150 451 HD13 ILE 61 3HD1 ILE 61 -1.668 1.384 -3.506 452 H ILE 62 H ILE 62 1.232 -3.570 -4.510 453 HA ILE 62 HA ILE 62 -0.952 -5.266 -5.534 454 HB ILE 62 HB ILE 62 0.931 -7.087 -4.914 455 HG12 ILE 62 1HG1 ILE 62 2.470 -5.079 -4.383 456 HG13 ILE 62 2HG1 ILE 62 3.118 -6.380 -5.377 457 HG21 ILE 62 1HG2 ILE 62 0.829 -5.607 -7.538 458 HG22 ILE 62 2HG2 ILE 62 1.367 -7.265 -7.278 459 HG23 ILE 62 3HG2 ILE 62 -0.326 -6.839 -7.030 460 HD11 ILE 62 1HD1 ILE 62 1.861 -4.014 -6.681 461 HD12 ILE 62 2HD1 ILE 62 3.505 -3.907 -6.051 462 HD13 ILE 62 3HD1 ILE 62 3.110 -5.102 -7.286 463 H GLU 63 H GLU 63 0.887 -4.258 -2.770 464 HA GLU 63 HA GLU 63 -0.888 -5.863 -1.059 465 HB2 GLU 63 1HB GLU 63 1.656 -6.569 -1.303 466 HB3 GLU 63 2HB GLU 63 1.886 -5.277 -0.133 467 HG2 GLU 63 1HG GLU 63 1.643 -7.068 1.256 468 HG3 GLU 63 2HG GLU 63 -0.026 -6.509 1.155 469 H ILE 64 H ILE 64 -1.806 -4.801 0.608 470 HA ILE 64 HA ILE 64 -0.801 -2.117 1.270 471 HB ILE 64 HB ILE 64 -3.623 -2.892 0.588 472 HG12 ILE 64 1HG1 ILE 64 -1.964 -0.492 -0.206 473 HG13 ILE 64 2HG1 ILE 64 -2.064 -1.972 -1.153 474 HG21 ILE 64 1HG2 ILE 64 -4.130 -1.793 2.528 475 HG22 ILE 64 2HG2 ILE 64 -2.674 -0.800 2.475 476 HG23 ILE 64 3HG2 ILE 64 -4.036 -0.425 1.420 477 HD11 ILE 64 1HD1 ILE 64 -3.886 -1.222 -2.145 478 HD12 ILE 64 2HD1 ILE 64 -4.702 -1.088 -0.588 479 HD13 ILE 64 3HD1 ILE 64 -3.769 0.271 -1.214 480 H ASN 65 H ASN 65 -0.430 -1.900 3.370 481 HA ASN 65 HA ASN 65 -0.316 -2.403 5.595 482 HB2 ASN 65 1HB ASN 65 -3.231 -2.302 4.938 483 HB3 ASN 65 2HB ASN 65 -2.748 -2.806 6.555 484 HD21 ASN 65 1HD2 ASN 65 -4.211 -0.454 5.800 485 HD22 ASN 65 2HD2 ASN 65 -3.277 0.905 6.315 486 H GLY 66 H GLY 66 0.095 -4.641 3.824 487 HA2 GLY 66 1HA GLY 66 0.561 -6.880 4.164 488 HA3 GLY 66 2HA GLY 66 -0.177 -6.752 5.754 489 H GLU 67 H GLU 67 -1.805 -5.858 2.780 490 HA GLU 67 HA GLU 67 -3.486 -8.263 3.020 491 HB2 GLU 67 1HB GLU 67 -4.379 -5.409 2.604 492 HB3 GLU 67 2HB GLU 67 -5.419 -6.797 2.318 493 HG2 GLU 67 1HG GLU 67 -4.076 -6.386 4.960 494 HG3 GLU 67 2HG GLU 67 -5.593 -5.580 4.563 495 H SER 68 H SER 68 -4.041 -9.259 1.148 496 HA SER 68 HA SER 68 -2.542 -8.683 -1.187 497 HB2 SER 68 1HB SER 68 -4.633 -10.667 -0.427 498 HB3 SER 68 2HB SER 68 -4.332 -10.412 -2.146 499 HG SER 68 HG SER 68 -2.392 -11.274 -1.953 500 H THR 69 H THR 69 -2.951 -6.766 -2.151 501 HA THR 69 HA THR 69 -5.515 -5.605 -2.425 502 HB THR 69 HB THR 69 -4.502 -3.946 -3.789 503 HG1 THR 69 1HG THR 69 -2.642 -4.283 -4.931 504 HG21 THR 69 1HG2 THR 69 -3.255 -4.822 -1.374 505 HG22 THR 69 2HG2 THR 69 -3.401 -3.184 -2.010 506 HG23 THR 69 3HG2 THR 69 -2.017 -4.182 -2.454 507 H ARG 70 H ARG 70 -4.320 -8.312 -3.861 508 HA ARG 70 HA ARG 70 -5.202 -7.970 -6.547 509 HB2 ARG 70 1HB ARG 70 -3.521 -9.645 -5.951 510 HB3 ARG 70 2HB ARG 70 -4.700 -10.493 -4.959 511 HG2 ARG 70 1HG ARG 70 -6.065 -10.692 -7.131 512 HG3 ARG 70 2HG ARG 70 -4.550 -10.285 -7.939 513 HD2 ARG 70 1HD ARG 70 -3.592 -12.182 -6.395 514 HD3 ARG 70 2HD ARG 70 -5.275 -12.707 -6.359 515 HE ARG 70 HE ARG 70 -4.500 -12.244 -9.023 516 HH11 ARG 70 2HH1 ARG 70 -3.946 -14.468 -6.402 517 HH12 ARG 70 1HH1 ARG 70 -3.596 -15.809 -7.442 518 HH21 ARG 70 2HH2 ARG 70 -4.041 -14.002 -10.402 519 HH22 ARG 70 1HH2 ARG 70 -3.649 -15.542 -9.716 520 H ASP 71 H ASP 71 -6.779 -8.709 -3.584 521 HA ASP 71 HA ASP 71 -9.275 -9.217 -5.060 522 HB2 ASP 71 1HB ASP 71 -9.984 -10.783 -3.335 523 HB3 ASP 71 2HB ASP 71 -8.451 -11.308 -4.028 524 H MET 72 H MET 72 -8.732 -6.687 -4.486 525 HA MET 72 HA MET 72 -10.678 -6.065 -2.411 526 HB2 MET 72 1HB MET 72 -8.097 -4.535 -2.415 527 HB3 MET 72 2HB MET 72 -9.315 -4.643 -1.151 528 HG2 MET 72 1HG MET 72 -8.622 -7.157 -1.098 529 HG3 MET 72 2HG MET 72 -7.154 -6.561 -1.870 530 HE1 MET 72 1HE MET 72 -6.637 -4.064 -1.097 531 HE2 MET 72 2HE MET 72 -7.196 -3.420 0.446 532 HE3 MET 72 3HE MET 72 -5.605 -4.171 0.328 533 H THR 73 H THR 73 -11.737 -4.106 -2.709 534 HA THR 73 HA THR 73 -11.478 -2.996 -5.392 535 HB THR 73 HB THR 73 -13.596 -1.800 -4.853 536 HG1 THR 73 1HG THR 73 -13.858 -3.408 -2.558 537 HG21 THR 73 1HG2 THR 73 -15.009 -3.708 -5.048 538 HG22 THR 73 2HG2 THR 73 -13.819 -4.749 -4.268 539 HG23 THR 73 3HG2 THR 73 -13.505 -4.103 -5.878 540 H HIS 74 H HIS 74 -11.789 -0.590 -5.619 541 HA HIS 74 HA HIS 74 -9.678 0.798 -4.484 542 HB2 HIS 74 1HB HIS 74 -11.120 1.384 -6.542 543 HB3 HIS 74 2HB HIS 74 -12.187 2.188 -5.395 544 HD1 HIS 74 1HD HIS 74 -11.115 4.074 -7.315 545 HD2 HIS 74 2HD HIS 74 -8.894 2.961 -3.984 546 HE1 HIS 74 1HE HIS 74 -9.434 5.914 -6.982 547 HE2 HIS 74 2HE HIS 74 -8.046 5.178 -5.013 548 H ALA 75 H ALA 75 -12.826 0.174 -3.216 549 HA ALA 75 HA ALA 75 -12.867 2.301 -1.306 550 HB1 ALA 75 1HB ALA 75 -14.988 1.679 -1.146 551 HB2 ALA 75 2HB ALA 75 -14.659 0.302 -2.199 552 HB3 ALA 75 3HB ALA 75 -14.499 0.134 -0.450 553 H ARG 76 H ARG 76 -12.253 -1.201 -1.057 554 HA ARG 76 HA ARG 76 -11.750 -1.416 1.630 555 HB2 ARG 76 1HB ARG 76 -11.797 -3.347 0.148 556 HB3 ARG 76 2HB ARG 76 -10.315 -2.813 -0.634 557 HG2 ARG 76 1HG ARG 76 -10.093 -4.675 1.056 558 HG3 ARG 76 2HG ARG 76 -9.015 -3.294 1.265 559 HD2 ARG 76 1HD ARG 76 -10.067 -2.583 3.164 560 HD3 ARG 76 2HD ARG 76 -11.627 -3.244 2.676 561 HE ARG 76 HE ARG 76 -9.668 -5.261 3.246 562 HH11 ARG 76 2HH1 ARG 76 -12.061 -3.141 4.626 563 HH12 ARG 76 1HH1 ARG 76 -12.327 -4.135 6.019 564 HH21 ARG 76 2HH2 ARG 76 -10.010 -6.578 5.077 565 HH22 ARG 76 1HH2 ARG 76 -11.159 -6.089 6.276 566 H ALA 77 H ALA 77 -9.313 -0.742 -0.886 567 HA ALA 77 HA ALA 77 -7.108 -0.404 0.745 568 HB1 ALA 77 1HB ALA 77 -7.623 1.257 -1.710 569 HB2 ALA 77 2HB ALA 77 -6.072 0.731 -1.056 570 HB3 ALA 77 3HB ALA 77 -7.170 -0.446 -1.776 571 H ILE 78 H ILE 78 -9.410 2.089 -0.339 572 HA ILE 78 HA ILE 78 -8.232 4.249 0.996 573 HB ILE 78 HB ILE 78 -11.169 3.878 0.397 574 HG12 ILE 78 1HG1 ILE 78 -9.313 3.687 -1.486 575 HG13 ILE 78 2HG1 ILE 78 -10.812 4.564 -1.769 576 HG21 ILE 78 1HG2 ILE 78 -10.989 6.434 0.207 577 HG22 ILE 78 2HG2 ILE 78 -11.014 5.717 1.818 578 HG23 ILE 78 3HG2 ILE 78 -9.488 6.253 1.114 579 HD11 ILE 78 1HD1 ILE 78 -8.716 5.701 -2.537 580 HD12 ILE 78 2HD1 ILE 78 -9.745 6.652 -1.466 581 HD13 ILE 78 3HD1 ILE 78 -8.284 5.890 -0.838 582 H GLU 79 H GLU 79 -9.968 1.578 2.214 583 HA GLU 79 HA GLU 79 -10.688 2.949 4.692 584 HB2 GLU 79 1HB GLU 79 -12.462 1.591 4.257 585 HB3 GLU 79 2HB GLU 79 -11.492 0.432 3.359 586 HG2 GLU 79 1HG GLU 79 -10.976 -0.785 5.207 587 HG3 GLU 79 2HG GLU 79 -11.067 0.605 6.286 588 H LEU 80 H LEU 80 -8.481 0.530 3.448 589 HA LEU 80 HA LEU 80 -7.540 -0.388 5.967 590 HB2 LEU 80 1HB LEU 80 -6.277 -0.467 3.232 591 HB3 LEU 80 2HB LEU 80 -5.643 -1.302 4.649 592 HG LEU 80 HG LEU 80 -8.189 -1.874 3.147 593 HD11 LEU 80 1HD1 LEU 80 -5.673 -3.429 3.704 594 HD12 LEU 80 2HD1 LEU 80 -6.286 -2.887 2.142 595 HD13 LEU 80 3HD1 LEU 80 -7.141 -4.144 3.036 596 HD21 LEU 80 1HD2 LEU 80 -8.539 -3.665 4.845 597 HD22 LEU 80 2HD2 LEU 80 -8.763 -2.029 5.465 598 HD23 LEU 80 3HD2 LEU 80 -7.280 -2.915 5.826 599 H ILE 81 H ILE 81 -6.494 2.131 3.732 600 HA ILE 81 HA ILE 81 -4.051 2.779 4.920 601 HB ILE 81 HB ILE 81 -5.948 4.714 3.589 602 HG12 ILE 81 1HG1 ILE 81 -3.694 3.380 2.151 603 HG13 ILE 81 2HG1 ILE 81 -5.188 2.480 2.389 604 HG21 ILE 81 1HG2 ILE 81 -4.269 5.989 4.577 605 HG22 ILE 81 2HG2 ILE 81 -3.027 4.782 4.247 606 HG23 ILE 81 3HG2 ILE 81 -3.688 5.749 2.929 607 HD11 ILE 81 1HD1 ILE 81 -5.513 5.204 1.342 608 HD12 ILE 81 2HD1 ILE 81 -4.694 4.063 0.274 609 HD13 ILE 81 3HD1 ILE 81 -6.310 3.701 0.880 610 H LYS 82 H LYS 82 -7.328 3.640 5.792 611 HA LYS 82 HA LYS 82 -6.366 5.440 7.890 612 HB2 LYS 82 1HB LYS 82 -9.020 5.568 8.179 613 HB3 LYS 82 2HB LYS 82 -8.152 6.533 6.993 614 HG2 LYS 82 1HG LYS 82 -8.662 4.873 5.271 615 HG3 LYS 82 2HG LYS 82 -9.544 3.915 6.463 616 HD2 LYS 82 1HD LYS 82 -11.167 5.164 5.266 617 HD3 LYS 82 2HD LYS 82 -10.998 5.944 6.841 618 HE2 LYS 82 1HE LYS 82 -9.283 6.913 4.618 619 HE3 LYS 82 2HE LYS 82 -10.997 7.320 4.570 620 HZ1 LYS 82 1HZ LYS 82 -10.473 7.962 7.067 621 HZ2 LYS 82 2HZ LYS 82 -10.252 9.053 5.793 622 HZ3 LYS 82 3HZ LYS 82 -8.928 8.209 6.423 623 H SER 83 H SER 83 -7.336 2.226 7.443 624 HA SER 83 HA SER 83 -8.426 1.800 10.070 625 HB2 SER 83 1HB SER 83 -9.116 0.405 8.156 626 HB3 SER 83 2HB SER 83 -7.469 -0.210 8.016 627 HG SER 83 HG SER 83 -8.901 -0.431 10.435 628 H GLY 84 H GLY 84 -5.295 1.543 8.534 629 HA2 GLY 84 1HA GLY 84 -4.040 0.008 10.579 630 HA3 GLY 84 2HA GLY 84 -3.223 0.956 9.345 631 H GLY 85 H GLY 85 -4.489 3.462 10.063 632 HA2 GLY 85 1HA GLY 85 -4.618 4.686 12.263 633 HA3 GLY 85 2HA GLY 85 -3.059 3.948 12.602 634 H ARG 86 H ARG 86 -1.538 5.458 12.519 635 HA ARG 86 HA ARG 86 -1.775 7.637 10.583 636 HB2 ARG 86 1HB ARG 86 -0.383 7.257 13.173 637 HB3 ARG 86 2HB ARG 86 0.432 8.273 11.991 638 HG2 ARG 86 1HG ARG 86 -1.221 9.878 12.029 639 HG3 ARG 86 2HG ARG 86 -2.445 8.751 12.617 640 HD2 ARG 86 1HD ARG 86 -1.516 8.753 14.804 641 HD3 ARG 86 2HD ARG 86 -0.070 9.601 14.257 642 HE ARG 86 HE ARG 86 -2.606 10.763 14.943 643 HH11 ARG 86 2HH1 ARG 86 0.321 11.168 13.102 644 HH12 ARG 86 1HH1 ARG 86 0.204 12.896 13.051 645 HH21 ARG 86 2HH2 ARG 86 -2.771 13.037 14.882 646 HH22 ARG 86 1HH2 ARG 86 -1.555 13.958 14.064 647 H ARG 87 H ARG 87 -0.108 4.702 11.073 648 HA ARG 87 HA ARG 87 1.904 5.439 9.053 649 HB2 ARG 87 1HB ARG 87 2.046 3.079 10.926 650 HB3 ARG 87 2HB ARG 87 3.337 3.749 9.937 651 HG2 ARG 87 1HG ARG 87 3.580 5.622 11.323 652 HG3 ARG 87 2HG ARG 87 2.030 5.337 12.119 653 HD2 ARG 87 1HD ARG 87 3.620 4.626 13.678 654 HD3 ARG 87 2HD ARG 87 3.055 3.137 12.922 655 HE ARG 87 HE ARG 87 5.179 2.786 12.182 656 HH11 ARG 87 2HH1 ARG 87 4.792 6.180 12.856 657 HH12 ARG 87 1HH1 ARG 87 6.452 6.565 12.539 658 HH21 ARG 87 2HH2 ARG 87 7.366 3.281 11.761 659 HH22 ARG 87 1HH2 ARG 87 7.914 4.916 11.916 660 H VAL 88 H VAL 88 1.791 4.514 7.113 661 HA VAL 88 HA VAL 88 0.160 2.075 6.819 662 HB VAL 88 HB VAL 88 -0.983 4.060 5.881 663 HG11 VAL 88 1HG1 VAL 88 -0.104 5.401 4.223 664 HG12 VAL 88 2HG1 VAL 88 1.324 5.077 5.209 665 HG13 VAL 88 3HG1 VAL 88 1.065 4.183 3.711 666 HG21 VAL 88 1HG2 VAL 88 -1.344 3.096 3.593 667 HG22 VAL 88 2HG2 VAL 88 -0.051 1.949 3.943 668 HG23 VAL 88 3HG2 VAL 88 -1.520 1.946 4.918 669 H ARG 89 H ARG 89 0.951 0.464 5.537 670 HA ARG 89 HA ARG 89 3.487 0.947 4.134 671 HB2 ARG 89 1HB ARG 89 4.184 -0.073 6.166 672 HB3 ARG 89 2HB ARG 89 2.880 -1.252 6.104 673 HG2 ARG 89 1HG ARG 89 4.095 -1.903 3.835 674 HG3 ARG 89 2HG ARG 89 5.479 -1.216 4.689 675 HD2 ARG 89 1HD ARG 89 5.643 -3.361 5.426 676 HD3 ARG 89 2HD ARG 89 4.536 -2.738 6.648 677 HE ARG 89 HE ARG 89 2.880 -3.650 4.710 678 HH11 ARG 89 2HH1 ARG 89 5.537 -5.064 6.460 679 HH12 ARG 89 1HH1 ARG 89 4.904 -6.675 6.378 680 HH21 ARG 89 2HH2 ARG 89 2.036 -5.766 4.596 681 HH22 ARG 89 1HH2 ARG 89 2.913 -7.073 5.316 682 H LEU 90 H LEU 90 3.341 0.356 2.081 683 HA LEU 90 HA LEU 90 1.701 -1.970 1.372 684 HB2 LEU 90 1HB LEU 90 1.238 -0.445 -0.775 685 HB3 LEU 90 2HB LEU 90 0.166 -0.504 0.623 686 HG LEU 90 HG LEU 90 2.313 1.545 0.639 687 HD11 LEU 90 1HD1 LEU 90 1.486 2.885 -0.982 688 HD12 LEU 90 2HD1 LEU 90 -0.167 2.305 -0.775 689 HD13 LEU 90 3HD1 LEU 90 0.998 1.341 -1.683 690 HD21 LEU 90 1HD2 LEU 90 -0.033 0.938 2.088 691 HD22 LEU 90 2HD2 LEU 90 -0.317 2.466 1.253 692 HD23 LEU 90 3HD2 LEU 90 1.075 2.290 2.322 693 H LEU 91 H LEU 91 2.357 -3.077 -0.497 694 HA LEU 91 HA LEU 91 5.166 -2.783 -1.103 695 HB2 LEU 91 1HB LEU 91 3.864 -4.970 -0.769 696 HB3 LEU 91 2HB LEU 91 3.280 -4.716 -2.412 697 HG LEU 91 HG LEU 91 6.162 -5.072 -1.589 698 HD11 LEU 91 1HD1 LEU 91 4.176 -6.900 -2.916 699 HD12 LEU 91 2HD1 LEU 91 5.054 -7.160 -1.410 700 HD13 LEU 91 3HD1 LEU 91 5.918 -7.172 -2.948 701 HD21 LEU 91 1HD2 LEU 91 4.862 -4.201 -4.091 702 HD22 LEU 91 2HD2 LEU 91 6.131 -5.414 -4.254 703 HD23 LEU 91 3HD2 LEU 91 6.481 -3.870 -3.475 704 H LEU 92 H LEU 92 6.020 -1.829 -2.838 705 HA LEU 92 HA LEU 92 4.377 -1.415 -5.220 706 HB2 LEU 92 1HB LEU 92 4.372 0.592 -3.587 707 HB3 LEU 92 2HB LEU 92 6.023 0.846 -4.150 708 HG LEU 92 HG LEU 92 5.044 0.941 -6.497 709 HD11 LEU 92 1HD1 LEU 92 2.512 1.923 -5.882 710 HD12 LEU 92 2HD1 LEU 92 2.656 0.423 -4.967 711 HD13 LEU 92 3HD1 LEU 92 2.898 0.416 -6.713 712 HD21 LEU 92 1HD2 LEU 92 5.031 2.920 -4.364 713 HD22 LEU 92 2HD2 LEU 92 3.885 3.292 -5.652 714 HD23 LEU 92 3HD2 LEU 92 5.591 3.053 -6.031 715 H LYS 93 H LYS 93 5.573 -1.059 -7.139 716 HA LYS 93 HA LYS 93 8.443 -1.691 -6.912 717 HB2 LYS 93 1HB LYS 93 6.640 -2.531 -9.184 718 HB3 LYS 93 2HB LYS 93 8.305 -3.024 -8.905 719 HG2 LYS 93 1HG LYS 93 7.288 -4.865 -8.092 720 HG3 LYS 93 2HG LYS 93 7.229 -3.889 -6.622 721 HD2 LYS 93 1HD LYS 93 5.058 -4.807 -6.930 722 HD3 LYS 93 2HD LYS 93 4.958 -3.099 -7.366 723 HE2 LYS 93 1HE LYS 93 5.496 -4.044 -9.771 724 HE3 LYS 93 2HE LYS 93 4.813 -5.521 -9.092 725 HZ1 LYS 93 1HZ LYS 93 3.192 -3.275 -8.473 726 HZ2 LYS 93 2HZ LYS 93 2.779 -4.697 -9.289 727 HZ3 LYS 93 3HZ LYS 93 3.426 -3.389 -10.145 728 H ARG 94 H ARG 94 9.802 -0.311 -7.864 729 HA ARG 94 HA ARG 94 8.808 2.058 -9.107 730 HB2 ARG 94 1HB ARG 94 10.857 1.985 -7.696 731 HB3 ARG 94 2HB ARG 94 11.655 1.055 -8.957 732 HG2 ARG 94 1HG ARG 94 10.449 3.659 -9.709 733 HG3 ARG 94 2HG ARG 94 11.935 3.671 -8.756 734 HD2 ARG 94 1HD ARG 94 12.694 1.905 -10.563 735 HD3 ARG 94 2HD ARG 94 11.457 2.706 -11.531 736 HE ARG 94 HE ARG 94 13.998 3.801 -10.691 737 HH11 ARG 94 2HH1 ARG 94 10.806 4.463 -11.913 738 HH12 ARG 94 1HH1 ARG 94 11.240 6.000 -12.584 739 HH21 ARG 94 2HH2 ARG 94 14.581 5.823 -11.570 740 HH22 ARG 94 1HH2 ARG 94 13.388 6.773 -12.389 741 H GLY 95 H GLY 95 9.024 2.747 -11.238 742 HA2 GLY 95 1HA GLY 95 8.992 0.612 -13.194 743 HA3 GLY 95 2HA GLY 95 8.655 2.310 -13.494 744 H THR 96 H THR 96 11.252 -0.020 -12.945 745 HA THR 96 HA THR 96 13.114 1.830 -14.280 746 HB THR 96 HB THR 96 13.840 1.195 -12.035 747 HG1 THR 96 1HG THR 96 15.857 0.946 -12.706 748 HG21 THR 96 1HG2 THR 96 14.589 -1.513 -12.413 749 HG22 THR 96 2HG2 THR 96 12.878 -1.372 -12.816 750 HG23 THR 96 3HG2 THR 96 13.459 -0.847 -11.236 751 H GLY 97 H GLY 97 11.285 -0.921 -14.785 752 HA2 GLY 97 1HA GLY 97 11.162 -2.062 -16.840 753 HA3 GLY 97 2HA GLY 97 12.794 -1.525 -17.211 754 H SER 98 H SER 98 12.521 -3.989 -17.848 755 HA SER 98 HA SER 98 13.053 -5.759 -15.603 756 HB2 SER 98 1HB SER 98 12.534 -6.165 -18.533 757 HB3 SER 98 2HB SER 98 13.245 -7.463 -17.573 758 HG SER 98 HG SER 98 10.784 -6.142 -17.055 759 H GLY 99 H GLY 99 15.015 -3.820 -15.896 760 HA2 GLY 99 1HA GLY 99 17.273 -3.495 -16.275 761 HA3 GLY 99 2HA GLY 99 17.370 -5.137 -15.656 762 HA PRO 100 HA PRO 100 17.269 -5.489 -20.487 763 HB2 PRO 100 1HB PRO 100 17.586 -3.171 -21.864 764 HB3 PRO 100 2HB PRO 100 16.002 -3.808 -21.406 765 HG2 PRO 100 1HG PRO 100 17.639 -1.676 -20.090 766 HG3 PRO 100 2HG PRO 100 15.896 -1.707 -20.416 767 HD2 PRO 100 1HD PRO 100 16.932 -2.267 -17.977 768 HD3 PRO 100 2HD PRO 100 15.449 -3.032 -18.584 769 H SER 101 H SER 101 19.157 -6.294 -21.136 770 HA SER 101 HA SER 101 21.601 -4.732 -20.631 771 HB2 SER 101 1HB SER 101 22.795 -6.888 -20.612 772 HB3 SER 101 2HB SER 101 21.516 -6.852 -19.398 773 HG SER 101 HG SER 101 20.203 -7.917 -21.089 774 H SER 102 H SER 102 21.378 -3.577 -22.610 775 HA SER 102 HA SER 102 22.630 -4.911 -24.828 776 HB2 SER 102 1HB SER 102 20.406 -5.583 -25.380 777 HB3 SER 102 2HB SER 102 19.763 -3.979 -25.028 778 HG SER 102 HG SER 102 21.746 -4.171 -26.976 779 H GLY 103 H GLY 103 23.518 -3.478 -26.334 780 HA2 GLY 103 1HA GLY 103 24.392 -1.490 -27.080 781 HA3 GLY 103 2HA GLY 103 22.932 -0.723 -26.471 Start of MODEL 7 1 H1 GLY 1 H GLY 1 11.154 -18.687 -8.311 2 HA2 GLY 1 1HA GLY 1 9.541 -21.033 -9.030 3 HA3 GLY 1 2HA GLY 1 8.733 -19.484 -8.836 4 H SER 2 H SER 2 9.719 -21.502 -11.113 5 HA SER 2 HA SER 2 10.810 -19.462 -12.914 6 HB2 SER 2 1HB SER 2 10.563 -22.442 -13.378 7 HB3 SER 2 2HB SER 2 11.466 -21.291 -14.362 8 HG SER 2 HG SER 2 12.075 -21.455 -11.642 9 H SER 3 H SER 3 8.127 -19.173 -12.235 10 HA SER 3 HA SER 3 6.781 -19.922 -14.748 11 HB2 SER 3 1HB SER 3 5.592 -19.594 -11.984 12 HB3 SER 3 2HB SER 3 4.643 -19.820 -13.453 13 HG SER 3 HG SER 3 5.084 -21.779 -12.257 14 H GLY 4 H GLY 4 4.988 -18.405 -15.354 15 HA2 GLY 4 1HA GLY 4 5.388 -15.662 -14.409 16 HA3 GLY 4 2HA GLY 4 5.665 -15.985 -16.114 17 H SER 5 H SER 5 3.587 -17.847 -16.531 18 HA SER 5 HA SER 5 1.436 -17.804 -17.293 19 HB2 SER 5 1HB SER 5 1.264 -18.077 -14.715 20 HB3 SER 5 2HB SER 5 0.684 -16.412 -14.736 21 HG SER 5 HG SER 5 -0.628 -18.679 -15.368 22 H SER 6 H SER 6 2.891 -15.702 -18.297 23 HA SER 6 HA SER 6 2.622 -13.749 -19.433 24 HB2 SER 6 1HB SER 6 0.267 -14.880 -19.745 25 HB3 SER 6 2HB SER 6 -0.269 -13.595 -18.663 26 HG SER 6 HG SER 6 0.461 -13.472 -21.290 27 H GLY 7 H GLY 7 3.641 -13.501 -16.934 28 HA2 GLY 7 1HA GLY 7 2.792 -10.815 -16.238 29 HA3 GLY 7 2HA GLY 7 2.561 -12.015 -14.975 30 H GLN 8 H GLN 8 4.538 -9.639 -15.846 31 HA GLN 8 HA GLN 8 6.911 -10.986 -14.737 32 HB2 GLN 8 1HB GLN 8 6.806 -8.813 -16.833 33 HB3 GLN 8 2HB GLN 8 8.282 -9.370 -16.057 34 HG2 GLN 8 1HG GLN 8 7.432 -11.714 -16.916 35 HG3 GLN 8 2HG GLN 8 6.580 -10.707 -18.085 36 HE21 GLN 8 1HE2 GLN 8 7.746 -9.531 -19.589 37 HE22 GLN 8 2HE2 GLN 8 9.419 -9.828 -19.902 38 H ASP 9 H ASP 9 6.982 -10.341 -12.674 39 HA ASP 9 HA ASP 9 6.205 -7.653 -11.918 40 HB2 ASP 9 1HB ASP 9 6.935 -8.532 -9.599 41 HB3 ASP 9 2HB ASP 9 5.501 -9.235 -10.343 42 H PHE 10 H PHE 10 7.685 -6.498 -10.308 43 HA PHE 10 HA PHE 10 10.487 -6.703 -11.191 44 HB2 PHE 10 1HB PHE 10 9.290 -4.050 -10.480 45 HB3 PHE 10 2HB PHE 10 10.676 -4.407 -11.505 46 HD1 PHE 10 2HD PHE 10 9.621 -6.338 -13.397 47 HD2 PHE 10 1HD PHE 10 7.800 -2.853 -11.767 48 HE1 PHE 10 2HE PHE 10 8.193 -6.156 -15.392 49 HE2 PHE 10 1HE PHE 10 6.367 -2.666 -13.759 50 HZ PHE 10 HZ PHE 10 6.564 -4.318 -15.576 51 H ASP 11 H ASP 11 11.735 -4.963 -9.623 52 HA ASP 11 HA ASP 11 12.198 -6.190 -7.252 53 HB2 ASP 11 1HB ASP 11 13.253 -4.031 -8.385 54 HB3 ASP 11 2HB ASP 11 12.242 -3.208 -7.201 55 H TYR 12 H TYR 12 10.626 -6.889 -5.927 56 HA TYR 12 HA TYR 12 8.318 -5.280 -5.314 57 HB2 TYR 12 1HB TYR 12 9.267 -8.017 -4.576 58 HB3 TYR 12 2HB TYR 12 8.016 -7.260 -3.597 59 HD1 TYR 12 1HD TYR 12 6.433 -5.829 -5.610 60 HD2 TYR 12 2HD TYR 12 8.193 -9.699 -5.770 61 HE1 TYR 12 1HE TYR 12 4.730 -6.529 -7.240 62 HE2 TYR 12 2HE TYR 12 6.495 -10.410 -7.401 63 HH TYR 12 HH TYR 12 3.994 -8.162 -8.548 64 H PHE 13 H PHE 13 9.037 -3.449 -4.257 65 HA PHE 13 HA PHE 13 10.417 -3.859 -1.692 66 HB2 PHE 13 1HB PHE 13 11.216 -1.620 -1.839 67 HB3 PHE 13 2HB PHE 13 11.459 -2.337 -3.428 68 HD1 PHE 13 2HD PHE 13 9.289 -0.073 -1.477 69 HD2 PHE 13 1HD PHE 13 10.442 -1.428 -5.344 70 HE1 PHE 13 2HE PHE 13 8.029 1.778 -2.497 71 HE2 PHE 13 1HE PHE 13 9.185 0.421 -6.370 72 HZ PHE 13 HZ PHE 13 7.975 2.026 -4.947 73 H THR 14 H THR 14 9.729 -2.586 0.140 74 HA THR 14 HA THR 14 6.822 -2.198 0.145 75 HB THR 14 HB THR 14 7.081 -2.202 2.651 76 HG1 THR 14 1HG THR 14 9.028 -2.310 3.474 77 HG21 THR 14 1HG2 THR 14 8.216 -4.786 2.077 78 HG22 THR 14 2HG2 THR 14 7.054 -4.334 0.830 79 HG23 THR 14 3HG2 THR 14 6.563 -4.367 2.523 80 H VAL 15 H VAL 15 5.929 -0.392 1.367 81 HA VAL 15 HA VAL 15 7.665 1.986 1.220 82 HB VAL 15 HB VAL 15 4.654 1.917 0.997 83 HG11 VAL 15 1HG1 VAL 15 5.752 4.003 1.888 84 HG12 VAL 15 2HG1 VAL 15 6.541 4.162 0.318 85 HG13 VAL 15 3HG1 VAL 15 4.781 4.217 0.432 86 HG21 VAL 15 1HG2 VAL 15 6.188 0.896 -0.890 87 HG22 VAL 15 2HG2 VAL 15 4.796 1.902 -1.288 88 HG23 VAL 15 3HG2 VAL 15 6.417 2.595 -1.302 89 H ASP 16 H ASP 16 7.682 3.438 2.904 90 HA ASP 16 HA ASP 16 6.048 2.809 5.261 91 HB2 ASP 16 1HB ASP 16 8.276 1.782 5.572 92 HB3 ASP 16 2HB ASP 16 9.022 3.361 5.338 93 H MET 17 H MET 17 4.885 4.557 5.685 94 HA MET 17 HA MET 17 6.192 7.146 5.864 95 HB2 MET 17 1HB MET 17 3.623 7.180 4.375 96 HB3 MET 17 2HB MET 17 5.014 8.248 4.243 97 HG2 MET 17 1HG MET 17 6.232 6.431 3.078 98 HG3 MET 17 2HG MET 17 4.754 5.473 3.113 99 HE1 MET 17 1HE MET 17 2.608 8.377 2.246 100 HE2 MET 17 2HE MET 17 2.307 7.233 0.938 101 HE3 MET 17 3HE MET 17 2.547 6.647 2.585 102 H GLU 18 H GLU 18 4.492 8.836 6.621 103 HA GLU 18 HA GLU 18 2.659 7.538 8.529 104 HB2 GLU 18 1HB GLU 18 4.742 9.606 8.957 105 HB3 GLU 18 2HB GLU 18 3.223 9.833 9.813 106 HG2 GLU 18 1HG GLU 18 3.538 8.023 11.149 107 HG3 GLU 18 2HG GLU 18 4.485 7.156 9.942 108 H LYS 19 H LYS 19 1.035 9.204 9.415 109 HA LYS 19 HA LYS 19 -0.287 10.383 7.126 110 HB2 LYS 19 1HB LYS 19 -1.327 9.058 9.148 111 HB3 LYS 19 2HB LYS 19 -1.318 10.636 9.924 112 HG2 LYS 19 1HG LYS 19 -2.922 11.482 8.543 113 HG3 LYS 19 2HG LYS 19 -2.483 10.423 7.201 114 HD2 LYS 19 1HD LYS 19 -3.689 9.311 9.711 115 HD3 LYS 19 2HD LYS 19 -4.707 9.998 8.443 116 HE2 LYS 19 1HE LYS 19 -3.306 8.428 6.888 117 HE3 LYS 19 2HE LYS 19 -2.980 7.562 8.388 118 HZ1 LYS 19 1HZ LYS 19 -4.896 6.636 7.285 119 HZ2 LYS 19 2HZ LYS 19 -5.660 8.144 7.250 120 HZ3 LYS 19 3HZ LYS 19 -5.382 7.373 8.729 121 H GLY 20 H GLY 20 -0.794 12.550 6.851 122 HA2 GLY 20 1HA GLY 20 0.819 14.395 8.494 123 HA3 GLY 20 2HA GLY 20 0.389 14.669 6.812 124 H ALA 21 H ALA 21 -0.686 16.573 6.991 125 HA ALA 21 HA ALA 21 -2.581 17.109 9.056 126 HB1 ALA 21 1HB ALA 21 -3.109 18.906 7.021 127 HB2 ALA 21 2HB ALA 21 -2.004 19.149 8.374 128 HB3 ALA 21 3HB ALA 21 -1.393 18.544 6.834 129 H LYS 22 H LYS 22 -2.925 16.526 5.555 130 HA LYS 22 HA LYS 22 -5.761 15.895 6.013 131 HB2 LYS 22 1HB LYS 22 -4.247 16.997 3.686 132 HB3 LYS 22 2HB LYS 22 -5.700 16.057 3.373 133 HG2 LYS 22 1HG LYS 22 -5.674 18.392 5.260 134 HG3 LYS 22 2HG LYS 22 -5.970 18.569 3.528 135 HD2 LYS 22 1HD LYS 22 -7.954 17.323 3.628 136 HD3 LYS 22 2HD LYS 22 -7.551 16.644 5.207 137 HE2 LYS 22 1HE LYS 22 -7.687 19.016 6.097 138 HE3 LYS 22 2HE LYS 22 -8.412 19.451 4.550 139 HZ1 LYS 22 1HZ LYS 22 -9.478 17.600 6.601 140 HZ2 LYS 22 2HZ LYS 22 -10.083 17.647 5.022 141 HZ3 LYS 22 3HZ LYS 22 -10.185 19.018 6.007 142 H GLY 23 H GLY 23 -3.499 14.077 6.522 143 HA2 GLY 23 1HA GLY 23 -3.837 11.676 6.354 144 HA3 GLY 23 2HA GLY 23 -4.333 11.922 4.686 145 H PHE 24 H PHE 24 -2.619 10.067 4.715 146 HA PHE 24 HA PHE 24 0.091 10.547 5.023 147 HB2 PHE 24 1HB PHE 24 -1.408 8.712 3.160 148 HB3 PHE 24 2HB PHE 24 0.351 8.736 3.230 149 HD1 PHE 24 1HD PHE 24 1.498 8.138 5.361 150 HD2 PHE 24 2HD PHE 24 -2.686 7.596 4.793 151 HE1 PHE 24 1HE PHE 24 1.444 6.580 7.265 152 HE2 PHE 24 2HE PHE 24 -2.746 6.038 6.696 153 HZ PHE 24 HZ PHE 24 -0.679 5.529 7.936 154 H GLY 25 H GLY 25 -2.065 11.730 2.626 155 HA2 GLY 25 1HA GLY 25 -1.640 13.440 1.100 156 HA3 GLY 25 2HA GLY 25 0.078 13.274 1.431 157 H PHE 26 H PHE 26 -2.164 10.733 0.427 158 HA PHE 26 HA PHE 26 -1.122 10.739 -2.275 159 HB2 PHE 26 1HB PHE 26 0.000 8.713 -2.244 160 HB3 PHE 26 2HB PHE 26 0.428 9.369 -0.667 161 HD1 PHE 26 2HD PHE 26 -2.209 7.257 -2.247 162 HD2 PHE 26 1HD PHE 26 0.229 7.999 1.162 163 HE1 PHE 26 2HE PHE 26 -3.108 5.236 -1.169 164 HE2 PHE 26 1HE PHE 26 -0.666 5.979 2.245 165 HZ PHE 26 HZ PHE 26 -2.337 4.595 1.080 166 H SER 27 H SER 27 -2.397 9.588 -3.732 167 HA SER 27 HA SER 27 -4.912 8.525 -2.619 168 HB2 SER 27 1HB SER 27 -5.212 10.686 -3.803 169 HB3 SER 27 2HB SER 27 -4.546 9.955 -5.263 170 HG SER 27 HG SER 27 -6.294 8.530 -5.292 171 H ILE 28 H ILE 28 -6.029 6.969 -4.078 172 HA ILE 28 HA ILE 28 -4.103 5.370 -5.631 173 HB ILE 28 HB ILE 28 -5.833 3.468 -4.813 174 HG12 ILE 28 1HG1 ILE 28 -5.466 5.169 -2.352 175 HG13 ILE 28 2HG1 ILE 28 -6.918 5.269 -3.343 176 HG21 ILE 28 1HG2 ILE 28 -4.108 2.753 -3.263 177 HG22 ILE 28 2HG2 ILE 28 -3.381 3.389 -4.738 178 HG23 ILE 28 3HG2 ILE 28 -3.403 4.370 -3.273 179 HD11 ILE 28 1HD1 ILE 28 -7.272 2.847 -2.968 180 HD12 ILE 28 2HD1 ILE 28 -5.897 2.861 -1.862 181 HD13 ILE 28 3HD1 ILE 28 -7.333 3.815 -1.495 182 H ARG 29 H ARG 29 -5.288 3.734 -7.058 183 HA ARG 29 HA ARG 29 -7.900 4.615 -7.977 184 HB2 ARG 29 1HB ARG 29 -7.306 5.301 -10.094 185 HB3 ARG 29 2HB ARG 29 -5.932 5.886 -9.166 186 HG2 ARG 29 1HG ARG 29 -4.811 4.889 -10.861 187 HG3 ARG 29 2HG ARG 29 -4.975 3.494 -9.793 188 HD2 ARG 29 1HD ARG 29 -6.554 2.496 -11.112 189 HD3 ARG 29 2HD ARG 29 -7.158 4.031 -11.735 190 HE ARG 29 HE ARG 29 -5.054 2.418 -12.842 191 HH11 ARG 29 2HH1 ARG 29 -6.371 5.632 -12.606 192 HH12 ARG 29 1HH1 ARG 29 -5.658 6.174 -14.089 193 HH21 ARG 29 2HH2 ARG 29 -4.110 3.120 -14.796 194 HH22 ARG 29 1HH2 ARG 29 -4.373 4.744 -15.334 195 H GLY 30 H GLY 30 -8.695 3.173 -9.790 196 HA2 GLY 30 1HA GLY 30 -9.035 1.085 -10.714 197 HA3 GLY 30 2HA GLY 30 -7.430 0.630 -10.162 198 H GLY 31 H GLY 31 -8.712 -1.428 -9.812 199 HA2 GLY 31 1HA GLY 31 -8.832 -2.509 -7.510 200 HA3 GLY 31 2HA GLY 31 -10.115 -1.345 -7.218 201 H ARG 32 H ARG 32 -10.672 -3.965 -6.869 202 HA ARG 32 HA ARG 32 -11.521 -5.505 -8.977 203 HB2 ARG 32 1HB ARG 32 -12.387 -5.205 -6.149 204 HB3 ARG 32 2HB ARG 32 -13.459 -6.091 -7.225 205 HG2 ARG 32 1HG ARG 32 -10.541 -6.744 -6.949 206 HG3 ARG 32 2HG ARG 32 -11.788 -7.459 -5.924 207 HD2 ARG 32 1HD ARG 32 -12.067 -7.539 -8.899 208 HD3 ARG 32 2HD ARG 32 -11.011 -8.692 -8.084 209 HE ARG 32 HE ARG 32 -13.370 -8.842 -6.719 210 HH11 ARG 32 2HH1 ARG 32 -12.423 -9.202 -10.050 211 HH12 ARG 32 1HH1 ARG 32 -13.676 -10.341 -10.419 212 HH21 ARG 32 2HH2 ARG 32 -15.023 -10.341 -7.193 213 HH22 ARG 32 1HH2 ARG 32 -15.155 -10.988 -8.793 214 H GLU 33 H GLU 33 -12.934 -2.588 -7.734 215 HA GLU 33 HA GLU 33 -15.531 -2.838 -8.772 216 HB2 GLU 33 1HB GLU 33 -14.432 -1.045 -7.179 217 HB3 GLU 33 2HB GLU 33 -14.179 -0.174 -8.685 218 HG2 GLU 33 1HG GLU 33 -16.718 -0.670 -9.053 219 HG3 GLU 33 2HG GLU 33 -16.721 -0.870 -7.301 220 H TYR 34 H TYR 34 -12.517 -1.762 -10.223 221 HA TYR 34 HA TYR 34 -13.922 -1.381 -12.782 222 HB2 TYR 34 1HB TYR 34 -11.124 -0.423 -12.316 223 HB3 TYR 34 2HB TYR 34 -12.354 0.216 -13.400 224 HD1 TYR 34 1HD TYR 34 -14.198 1.607 -12.492 225 HD2 TYR 34 2HD TYR 34 -10.942 0.342 -10.064 226 HE1 TYR 34 1HE TYR 34 -14.779 3.324 -10.829 227 HE2 TYR 34 2HE TYR 34 -11.515 2.054 -8.393 228 HH TYR 34 HH TYR 34 -13.398 4.623 -8.966 229 H LYS 35 H LYS 35 -12.579 -3.798 -11.302 230 HA LYS 35 HA LYS 35 -11.434 -5.682 -11.870 231 HB2 LYS 35 1HB LYS 35 -12.131 -4.849 -14.692 232 HB3 LYS 35 2HB LYS 35 -11.696 -6.468 -14.159 233 HG2 LYS 35 1HG LYS 35 -13.954 -6.687 -14.211 234 HG3 LYS 35 2HG LYS 35 -13.766 -6.107 -12.554 235 HD2 LYS 35 1HD LYS 35 -14.385 -3.900 -13.165 236 HD3 LYS 35 2HD LYS 35 -14.260 -4.267 -14.886 237 HE2 LYS 35 1HE LYS 35 -16.117 -5.951 -14.519 238 HE3 LYS 35 2HE LYS 35 -16.331 -5.227 -12.926 239 HZ1 LYS 35 1HZ LYS 35 -17.171 -4.267 -15.487 240 HZ2 LYS 35 2HZ LYS 35 -16.307 -3.097 -14.623 241 HZ3 LYS 35 3HZ LYS 35 -17.684 -3.805 -13.942 242 H MET 36 H MET 36 -9.692 -3.785 -11.264 243 HA MET 36 HA MET 36 -7.444 -4.404 -12.967 244 HB2 MET 36 1HB MET 36 -6.794 -2.023 -13.263 245 HB3 MET 36 2HB MET 36 -8.264 -2.455 -14.127 246 HG2 MET 36 1HG MET 36 -9.489 -1.541 -12.057 247 HG3 MET 36 2HG MET 36 -7.947 -0.779 -11.672 248 HE1 MET 36 1HE MET 36 -7.099 1.034 -12.373 249 HE2 MET 36 2HE MET 36 -7.447 2.019 -13.794 250 HE3 MET 36 3HE MET 36 -8.462 2.153 -12.357 251 H ASP 37 H ASP 37 -5.388 -3.644 -12.029 252 HA ASP 37 HA ASP 37 -5.286 -4.161 -9.252 253 HB2 ASP 37 1HB ASP 37 -3.071 -2.813 -10.778 254 HB3 ASP 37 2HB ASP 37 -2.950 -3.948 -9.437 255 H LEU 38 H LEU 38 -4.028 -2.631 -7.749 256 HA LEU 38 HA LEU 38 -5.389 -0.042 -7.830 257 HB2 LEU 38 1HB LEU 38 -3.960 -1.497 -5.613 258 HB3 LEU 38 2HB LEU 38 -4.645 0.118 -5.451 259 HG LEU 38 HG LEU 38 -6.460 -2.056 -6.344 260 HD11 LEU 38 1HD1 LEU 38 -4.870 -2.637 -4.234 261 HD12 LEU 38 2HD1 LEU 38 -6.521 -3.224 -4.427 262 HD13 LEU 38 3HD1 LEU 38 -6.201 -1.806 -3.429 263 HD21 LEU 38 1HD2 LEU 38 -6.893 0.503 -5.872 264 HD22 LEU 38 2HD2 LEU 38 -7.042 -0.068 -4.210 265 HD23 LEU 38 3HD2 LEU 38 -8.094 -0.723 -5.465 266 H TYR 39 H TYR 39 -4.341 1.745 -8.377 267 HA TYR 39 HA TYR 39 -1.408 1.798 -8.101 268 HB2 TYR 39 1HB TYR 39 -2.874 3.272 -10.276 269 HB3 TYR 39 2HB TYR 39 -1.161 2.879 -10.179 270 HD1 TYR 39 1HD TYR 39 -4.521 1.332 -10.575 271 HD2 TYR 39 2HD TYR 39 -0.331 0.948 -11.208 272 HE1 TYR 39 1HE TYR 39 -4.916 -0.686 -11.923 273 HE2 TYR 39 2HE TYR 39 -0.715 -1.071 -12.559 274 HH TYR 39 HH TYR 39 -3.622 -1.914 -13.822 275 H VAL 40 H VAL 40 -0.508 4.026 -8.019 276 HA VAL 40 HA VAL 40 -1.975 5.584 -6.094 277 HB VAL 40 HB VAL 40 0.698 6.111 -7.401 278 HG11 VAL 40 1HG1 VAL 40 1.021 7.906 -5.986 279 HG12 VAL 40 2HG1 VAL 40 -0.690 8.067 -6.386 280 HG13 VAL 40 3HG1 VAL 40 -0.206 7.361 -4.843 281 HG21 VAL 40 1HG2 VAL 40 0.089 5.067 -4.639 282 HG22 VAL 40 2HG2 VAL 40 0.558 4.055 -6.005 283 HG23 VAL 40 3HG2 VAL 40 1.678 5.263 -5.378 284 H LEU 41 H LEU 41 -3.678 6.661 -6.944 285 HA LEU 41 HA LEU 41 -3.992 7.718 -9.457 286 HB2 LEU 41 1HB LEU 41 -5.665 7.563 -7.537 287 HB3 LEU 41 2HB LEU 41 -5.014 9.109 -6.998 288 HG LEU 41 HG LEU 41 -7.025 9.539 -8.200 289 HD11 LEU 41 1HD1 LEU 41 -4.935 10.153 -10.246 290 HD12 LEU 41 2HD1 LEU 41 -4.868 10.901 -8.651 291 HD13 LEU 41 3HD1 LEU 41 -6.278 11.147 -9.681 292 HD21 LEU 41 1HD2 LEU 41 -7.044 8.865 -10.700 293 HD22 LEU 41 2HD2 LEU 41 -7.470 7.663 -9.482 294 HD23 LEU 41 3HD2 LEU 41 -5.863 7.651 -10.209 295 H ARG 42 H ARG 42 -3.191 9.731 -6.621 296 HA ARG 42 HA ARG 42 -1.177 11.153 -8.147 297 HB2 ARG 42 1HB ARG 42 -2.778 12.621 -8.858 298 HB3 ARG 42 2HB ARG 42 -3.840 12.292 -7.496 299 HG2 ARG 42 1HG ARG 42 -1.288 13.736 -6.998 300 HG3 ARG 42 2HG ARG 42 -2.628 14.602 -7.752 301 HD2 ARG 42 1HD ARG 42 -2.852 13.052 -5.178 302 HD3 ARG 42 2HD ARG 42 -2.539 14.785 -5.261 303 HE ARG 42 HE ARG 42 -4.893 13.927 -6.687 304 HH11 ARG 42 2HH1 ARG 42 -3.595 15.019 -3.647 305 HH12 ARG 42 1HH1 ARG 42 -5.116 15.602 -3.058 306 HH21 ARG 42 2HH2 ARG 42 -6.902 14.690 -5.923 307 HH22 ARG 42 1HH2 ARG 42 -6.997 15.413 -4.353 308 H LEU 43 H LEU 43 0.241 12.370 -6.857 309 HA LEU 43 HA LEU 43 0.148 11.650 -4.020 310 HB2 LEU 43 1HB LEU 43 2.286 12.268 -5.968 311 HB3 LEU 43 2HB LEU 43 2.563 12.781 -4.305 312 HG LEU 43 HG LEU 43 2.032 9.957 -5.228 313 HD11 LEU 43 1HD1 LEU 43 4.425 9.784 -4.176 314 HD12 LEU 43 2HD1 LEU 43 4.497 11.498 -4.580 315 HD13 LEU 43 3HD1 LEU 43 4.211 10.306 -5.847 316 HD21 LEU 43 1HD2 LEU 43 2.441 11.159 -2.502 317 HD22 LEU 43 2HD2 LEU 43 2.721 9.451 -2.839 318 HD23 LEU 43 3HD2 LEU 43 1.114 10.142 -3.065 319 H ALA 44 H ALA 44 0.528 13.197 -2.382 320 HA ALA 44 HA ALA 44 -0.491 15.843 -3.053 321 HB1 ALA 44 1HB ALA 44 -1.543 14.748 -1.192 322 HB2 ALA 44 2HB ALA 44 0.014 14.509 -0.398 323 HB3 ALA 44 3HB ALA 44 -0.635 16.137 -0.593 324 H GLU 45 H GLU 45 0.917 17.367 -3.601 325 HA GLU 45 HA GLU 45 3.680 17.255 -3.221 326 HB2 GLU 45 1HB GLU 45 3.734 19.558 -3.951 327 HB3 GLU 45 2HB GLU 45 2.539 18.682 -4.897 328 HG2 GLU 45 1HG GLU 45 0.744 19.649 -3.647 329 HG3 GLU 45 2HG GLU 45 1.873 20.391 -2.514 330 H ASP 46 H ASP 46 1.148 18.334 -1.120 331 HA ASP 46 HA ASP 46 3.128 19.431 0.759 332 HB2 ASP 46 1HB ASP 46 1.457 20.776 1.686 333 HB3 ASP 46 2HB ASP 46 1.074 20.795 -0.033 334 H GLY 47 H GLY 47 2.493 16.560 0.272 335 HA2 GLY 47 1HA GLY 47 1.498 15.872 2.967 336 HA3 GLY 47 2HA GLY 47 1.309 14.839 1.558 337 HA PRO 48 HA PRO 48 5.257 13.908 4.058 338 HB2 PRO 48 1HB PRO 48 4.414 11.654 5.316 339 HB3 PRO 48 2HB PRO 48 4.252 13.267 6.022 340 HG2 PRO 48 1HG PRO 48 2.209 11.612 4.589 341 HG3 PRO 48 2HG PRO 48 2.031 12.581 6.064 342 HD2 PRO 48 1HD PRO 48 1.205 13.456 3.638 343 HD3 PRO 48 2HD PRO 48 1.814 14.554 4.893 344 H ALA 49 H ALA 49 2.976 12.128 2.125 345 HA ALA 49 HA ALA 49 4.563 9.853 1.578 346 HB1 ALA 49 1HB ALA 49 2.976 9.297 -0.050 347 HB2 ALA 49 2HB ALA 49 2.061 10.183 1.170 348 HB3 ALA 49 3HB ALA 49 2.538 10.982 -0.328 349 H ILE 50 H ILE 50 3.903 12.715 -0.453 350 HA ILE 50 HA ILE 50 5.652 12.153 -2.517 351 HB ILE 50 HB ILE 50 3.964 14.101 -2.260 352 HG12 ILE 50 1HG1 ILE 50 6.556 14.887 -3.565 353 HG13 ILE 50 2HG1 ILE 50 5.610 13.538 -4.186 354 HG21 ILE 50 1HG2 ILE 50 4.504 15.888 -1.047 355 HG22 ILE 50 2HG2 ILE 50 5.817 14.923 -0.375 356 HG23 ILE 50 3HG2 ILE 50 6.115 15.974 -1.760 357 HD11 ILE 50 1HD1 ILE 50 3.698 15.419 -4.026 358 HD12 ILE 50 2HD1 ILE 50 5.112 16.428 -4.335 359 HD13 ILE 50 3HD1 ILE 50 4.688 15.137 -5.458 360 H ARG 51 H ARG 51 6.395 12.905 0.710 361 HA ARG 51 HA ARG 51 9.069 13.889 0.099 362 HB2 ARG 51 1HB ARG 51 7.537 13.529 2.670 363 HB3 ARG 51 2HB ARG 51 9.244 13.953 2.644 364 HG2 ARG 51 1HG ARG 51 8.838 16.043 1.706 365 HG3 ARG 51 2HG ARG 51 7.231 15.581 1.142 366 HD2 ARG 51 1HD ARG 51 6.385 15.566 3.388 367 HD3 ARG 51 2HD ARG 51 8.001 15.816 4.045 368 HE ARG 51 HE ARG 51 7.225 17.910 2.269 369 HH11 ARG 51 2HH1 ARG 51 6.881 16.712 5.519 370 HH12 ARG 51 1HH1 ARG 51 6.550 18.272 6.198 371 HH21 ARG 51 2HH2 ARG 51 6.791 19.968 3.150 372 HH22 ARG 51 1HH2 ARG 51 6.499 20.123 4.850 373 H ASN 52 H ASN 52 7.447 10.988 1.089 374 HA ASN 52 HA ASN 52 9.600 9.599 2.236 375 HB2 ASN 52 1HB ASN 52 7.723 8.393 2.636 376 HB3 ASN 52 2HB ASN 52 6.951 8.911 1.140 377 HD21 ASN 52 1HD2 ASN 52 6.483 7.253 -0.091 378 HD22 ASN 52 2HD2 ASN 52 7.459 5.847 -0.329 379 H GLY 53 H GLY 53 8.280 9.268 -1.069 380 HA2 GLY 53 1HA GLY 53 9.647 9.279 -3.025 381 HA3 GLY 53 2HA GLY 53 11.018 8.809 -2.030 382 H ARG 54 H ARG 54 10.275 6.619 -0.732 383 HA ARG 54 HA ARG 54 10.674 4.508 -2.325 384 HB2 ARG 54 1HB ARG 54 8.837 4.653 0.064 385 HB3 ARG 54 2HB ARG 54 9.288 3.138 -0.707 386 HG2 ARG 54 1HG ARG 54 11.362 5.057 0.288 387 HG3 ARG 54 2HG ARG 54 10.596 3.883 1.360 388 HD2 ARG 54 1HD ARG 54 11.493 2.067 0.214 389 HD3 ARG 54 2HD ARG 54 11.807 3.018 -1.238 390 HE ARG 54 HE ARG 54 13.329 3.930 0.996 391 HH11 ARG 54 2HH1 ARG 54 13.180 1.505 -1.497 392 HH12 ARG 54 1HH1 ARG 54 14.891 1.229 -1.513 393 HH21 ARG 54 2HH2 ARG 54 15.583 3.577 0.984 394 HH22 ARG 54 1HH2 ARG 54 16.256 2.408 -0.100 395 H MET 55 H MET 55 7.674 6.265 -2.049 396 HA MET 55 HA MET 55 6.562 4.596 -4.202 397 HB2 MET 55 1HB MET 55 4.484 4.441 -3.203 398 HB3 MET 55 2HB MET 55 5.548 4.335 -1.806 399 HG2 MET 55 1HG MET 55 5.117 6.575 -1.191 400 HG3 MET 55 2HG MET 55 4.326 6.917 -2.728 401 HE1 MET 55 1HE MET 55 2.190 6.576 -3.351 402 HE2 MET 55 2HE MET 55 0.824 6.050 -2.367 403 HE3 MET 55 3HE MET 55 1.627 7.581 -2.015 404 H ARG 56 H ARG 56 5.437 5.659 -5.807 405 HA ARG 56 HA ARG 56 5.104 8.556 -5.578 406 HB2 ARG 56 1HB ARG 56 6.934 7.136 -7.429 407 HB3 ARG 56 2HB ARG 56 5.984 8.445 -8.119 408 HG2 ARG 56 1HG ARG 56 7.866 9.568 -7.473 409 HG3 ARG 56 2HG ARG 56 6.854 9.773 -6.042 410 HD2 ARG 56 1HD ARG 56 8.110 8.342 -4.779 411 HD3 ARG 56 2HD ARG 56 8.609 7.382 -6.171 412 HE ARG 56 HE ARG 56 10.465 8.694 -6.334 413 HH11 ARG 56 2HH1 ARG 56 8.044 10.418 -4.521 414 HH12 ARG 56 1HH1 ARG 56 9.087 11.749 -4.144 415 HH21 ARG 56 2HH2 ARG 56 11.848 10.441 -5.845 416 HH22 ARG 56 1HH2 ARG 56 11.250 11.761 -4.898 417 H VAL 57 H VAL 57 3.933 9.403 -7.606 418 HA VAL 57 HA VAL 57 1.539 7.842 -7.912 419 HB VAL 57 HB VAL 57 0.953 10.049 -7.842 420 HG11 VAL 57 1HG1 VAL 57 3.590 10.511 -9.136 421 HG12 VAL 57 2HG1 VAL 57 2.345 11.750 -9.305 422 HG13 VAL 57 3HG1 VAL 57 2.888 11.257 -7.700 423 HG21 VAL 57 1HG2 VAL 57 0.237 8.935 -10.036 424 HG22 VAL 57 2HG2 VAL 57 0.098 10.690 -9.924 425 HG23 VAL 57 3HG2 VAL 57 1.445 9.966 -10.802 426 H GLY 58 H GLY 58 1.166 6.377 -9.435 427 HA2 GLY 58 1HA GLY 58 1.033 5.993 -11.870 428 HA3 GLY 58 2HA GLY 58 2.687 6.579 -11.962 429 H ASP 59 H ASP 59 2.497 4.826 -9.191 430 HA ASP 59 HA ASP 59 3.801 2.549 -10.448 431 HB2 ASP 59 1HB ASP 59 3.433 3.307 -7.543 432 HB3 ASP 59 2HB ASP 59 4.302 1.877 -8.093 433 H GLN 60 H GLN 60 3.291 0.417 -8.998 434 HA GLN 60 HA GLN 60 0.366 0.073 -9.071 435 HB2 GLN 60 1HB GLN 60 1.676 -1.007 -10.974 436 HB3 GLN 60 2HB GLN 60 2.347 -2.091 -9.763 437 HG2 GLN 60 1HG GLN 60 -0.610 -1.790 -10.000 438 HG3 GLN 60 2HG GLN 60 0.267 -2.798 -11.150 439 HE21 GLN 60 1HE2 GLN 60 -1.276 -2.727 -8.210 440 HE22 GLN 60 2HE2 GLN 60 -0.667 -4.201 -7.546 441 H ILE 61 H ILE 61 -0.409 -0.337 -7.120 442 HA ILE 61 HA ILE 61 1.325 -1.360 -5.030 443 HB ILE 61 HB ILE 61 -1.608 -0.730 -4.762 444 HG12 ILE 61 1HG1 ILE 61 0.531 1.258 -4.096 445 HG13 ILE 61 2HG1 ILE 61 -0.038 1.129 -5.756 446 HG21 ILE 61 1HG2 ILE 61 0.678 -1.150 -2.894 447 HG22 ILE 61 2HG2 ILE 61 -0.643 -0.084 -2.418 448 HG23 ILE 61 3HG2 ILE 61 -0.970 -1.771 -2.814 449 HD11 ILE 61 1HD1 ILE 61 -1.709 1.758 -3.336 450 HD12 ILE 61 2HD1 ILE 61 -1.222 2.879 -4.608 451 HD13 ILE 61 3HD1 ILE 61 -2.329 1.556 -4.975 452 H ILE 62 H ILE 62 1.506 -3.441 -4.566 453 HA ILE 62 HA ILE 62 -0.589 -5.285 -5.489 454 HB ILE 62 HB ILE 62 1.376 -6.963 -4.796 455 HG12 ILE 62 1HG1 ILE 62 2.745 -4.861 -4.152 456 HG13 ILE 62 2HG1 ILE 62 3.537 -6.117 -5.096 457 HG21 ILE 62 1HG2 ILE 62 2.178 -6.271 -7.331 458 HG22 ILE 62 2HG2 ILE 62 0.854 -7.363 -6.929 459 HG23 ILE 62 3HG2 ILE 62 0.525 -5.661 -7.258 460 HD11 ILE 62 1HD1 ILE 62 2.247 -4.087 -6.734 461 HD12 ILE 62 2HD1 ILE 62 3.514 -3.452 -5.684 462 HD13 ILE 62 3HD1 ILE 62 3.878 -4.752 -6.819 463 H GLU 63 H GLU 63 0.872 -3.961 -2.686 464 HA GLU 63 HA GLU 63 -0.773 -5.723 -1.014 465 HB2 GLU 63 1HB GLU 63 1.746 -6.336 -1.079 466 HB3 GLU 63 2HB GLU 63 1.967 -4.888 -0.107 467 HG2 GLU 63 1HG GLU 63 1.810 -6.529 1.493 468 HG3 GLU 63 2HG GLU 63 0.154 -5.929 1.416 469 H ILE 64 H ILE 64 -1.346 -4.819 1.048 470 HA ILE 64 HA ILE 64 -0.800 -1.988 1.460 471 HB ILE 64 HB ILE 64 -3.595 -3.065 1.091 472 HG12 ILE 64 1HG1 ILE 64 -2.073 -0.879 -0.346 473 HG13 ILE 64 2HG1 ILE 64 -2.410 -2.483 -0.988 474 HG21 ILE 64 1HG2 ILE 64 -2.708 -1.037 2.840 475 HG22 ILE 64 2HG2 ILE 64 -3.519 -0.242 1.491 476 HG23 ILE 64 3HG2 ILE 64 -4.367 -1.472 2.428 477 HD11 ILE 64 1HD1 ILE 64 -4.632 -2.022 -1.332 478 HD12 ILE 64 2HD1 ILE 64 -4.666 -0.744 -0.116 479 HD13 ILE 64 3HD1 ILE 64 -3.885 -0.461 -1.672 480 H ASN 65 H ASN 65 -0.170 -1.868 3.504 481 HA ASN 65 HA ASN 65 0.071 -2.314 5.727 482 HB2 ASN 65 1HB ASN 65 -2.861 -2.186 5.233 483 HB3 ASN 65 2HB ASN 65 -2.334 -2.783 6.804 484 HD21 ASN 65 1HD2 ASN 65 -3.792 -0.409 6.351 485 HD22 ASN 65 2HD2 ASN 65 -2.809 0.920 6.856 486 H GLY 66 H GLY 66 0.759 -4.497 4.277 487 HA2 GLY 66 1HA GLY 66 1.094 -6.762 4.437 488 HA3 GLY 66 2HA GLY 66 0.616 -6.587 6.119 489 H GLU 67 H GLU 67 -1.565 -5.728 3.547 490 HA GLU 67 HA GLU 67 -3.135 -8.154 4.128 491 HB2 GLU 67 1HB GLU 67 -4.307 -5.488 3.344 492 HB3 GLU 67 2HB GLU 67 -5.154 -6.898 3.963 493 HG2 GLU 67 1HG GLU 67 -3.661 -6.541 6.060 494 HG3 GLU 67 2HG GLU 67 -3.477 -4.909 5.418 495 H SER 68 H SER 68 -2.760 -9.426 2.406 496 HA SER 68 HA SER 68 -2.025 -8.892 -0.120 497 HB2 SER 68 1HB SER 68 -4.150 -10.905 0.658 498 HB3 SER 68 2HB SER 68 -3.234 -10.921 -0.849 499 HG SER 68 HG SER 68 -1.959 -12.151 0.312 500 H THR 69 H THR 69 -2.704 -7.317 -1.415 501 HA THR 69 HA THR 69 -5.402 -6.353 -1.410 502 HB THR 69 HB THR 69 -4.709 -4.755 -3.030 503 HG1 THR 69 1HG THR 69 -2.423 -5.103 -3.884 504 HG21 THR 69 1HG2 THR 69 -3.759 -3.955 -1.113 505 HG22 THR 69 2HG2 THR 69 -2.294 -4.188 -2.067 506 HG23 THR 69 3HG2 THR 69 -2.770 -5.395 -0.873 507 H ARG 70 H ARG 70 -5.815 -8.895 -1.912 508 HA ARG 70 HA ARG 70 -6.123 -9.162 -4.826 509 HB2 ARG 70 1HB ARG 70 -6.546 -11.608 -4.246 510 HB3 ARG 70 2HB ARG 70 -4.905 -11.015 -4.024 511 HG2 ARG 70 1HG ARG 70 -5.027 -11.122 -1.736 512 HG3 ARG 70 2HG ARG 70 -6.785 -10.966 -1.716 513 HD2 ARG 70 1HD ARG 70 -6.610 -13.184 -1.226 514 HD3 ARG 70 2HD ARG 70 -6.635 -13.284 -2.986 515 HE ARG 70 HE ARG 70 -4.438 -13.961 -2.956 516 HH11 ARG 70 2HH1 ARG 70 -5.345 -12.777 0.189 517 HH12 ARG 70 1HH1 ARG 70 -3.900 -13.339 0.962 518 HH21 ARG 70 2HH2 ARG 70 -2.531 -14.707 -1.951 519 HH22 ARG 70 1HH2 ARG 70 -2.300 -14.436 -0.257 520 H ASP 71 H ASP 71 -8.100 -9.328 -5.727 521 HA ASP 71 HA ASP 71 -10.358 -9.133 -5.942 522 HB2 ASP 71 1HB ASP 71 -10.627 -10.696 -3.384 523 HB3 ASP 71 2HB ASP 71 -11.670 -10.722 -4.803 524 H MET 72 H MET 72 -8.998 -7.055 -4.496 525 HA MET 72 HA MET 72 -11.024 -6.249 -2.525 526 HB2 MET 72 1HB MET 72 -8.337 -4.957 -2.980 527 HB3 MET 72 2HB MET 72 -9.409 -4.752 -1.601 528 HG2 MET 72 1HG MET 72 -9.027 -7.367 -1.399 529 HG3 MET 72 2HG MET 72 -7.537 -6.953 -2.244 530 HE1 MET 72 1HE MET 72 -6.003 -4.265 0.085 531 HE2 MET 72 2HE MET 72 -6.529 -4.546 -1.575 532 HE3 MET 72 3HE MET 72 -7.581 -3.685 -0.449 533 H THR 73 H THR 73 -11.962 -4.182 -2.622 534 HA THR 73 HA THR 73 -12.022 -3.053 -5.329 535 HB THR 73 HB THR 73 -14.101 -1.906 -4.579 536 HG1 THR 73 1HG THR 73 -14.356 -1.818 -2.481 537 HG21 THR 73 1HG2 THR 73 -13.762 -4.844 -4.696 538 HG22 THR 73 2HG2 THR 73 -14.754 -3.776 -5.690 539 HG23 THR 73 3HG2 THR 73 -15.307 -4.253 -4.086 540 H HIS 74 H HIS 74 -11.795 -0.839 -5.704 541 HA HIS 74 HA HIS 74 -9.805 0.552 -4.550 542 HB2 HIS 74 1HB HIS 74 -11.211 1.215 -6.566 543 HB3 HIS 74 2HB HIS 74 -12.330 1.955 -5.425 544 HD1 HIS 74 1HD HIS 74 -11.672 4.191 -6.774 545 HD2 HIS 74 2HD HIS 74 -8.692 2.521 -4.409 546 HE1 HIS 74 1HE HIS 74 -9.955 6.004 -6.477 547 HE2 HIS 74 2HE HIS 74 -8.121 4.943 -5.114 548 H ALA 75 H ALA 75 -13.114 0.379 -3.367 549 HA ALA 75 HA ALA 75 -12.938 2.377 -1.395 550 HB1 ALA 75 1HB ALA 75 -14.958 1.532 -0.536 551 HB2 ALA 75 2HB ALA 75 -15.024 1.223 -2.271 552 HB3 ALA 75 3HB ALA 75 -14.639 -0.088 -1.156 553 H ARG 76 H ARG 76 -12.383 -1.129 -1.221 554 HA ARG 76 HA ARG 76 -11.899 -1.379 1.490 555 HB2 ARG 76 1HB ARG 76 -12.038 -3.370 0.234 556 HB3 ARG 76 2HB ARG 76 -10.790 -2.847 -0.890 557 HG2 ARG 76 1HG ARG 76 -10.038 -4.615 0.654 558 HG3 ARG 76 2HG ARG 76 -9.089 -3.133 0.783 559 HD2 ARG 76 1HD ARG 76 -9.932 -2.612 2.854 560 HD3 ARG 76 2HD ARG 76 -11.435 -3.492 2.581 561 HE ARG 76 HE ARG 76 -9.116 -5.183 2.733 562 HH11 ARG 76 2HH1 ARG 76 -11.596 -3.553 4.553 563 HH12 ARG 76 1HH1 ARG 76 -11.493 -4.630 5.906 564 HH21 ARG 76 2HH2 ARG 76 -8.971 -6.608 4.508 565 HH22 ARG 76 1HH2 ARG 76 -9.999 -6.367 5.880 566 H ALA 77 H ALA 77 -9.341 -1.140 -0.988 567 HA ALA 77 HA ALA 77 -7.171 -0.787 0.630 568 HB1 ALA 77 1HB ALA 77 -6.971 -1.018 -1.772 569 HB2 ALA 77 2HB ALA 77 -7.693 0.574 -2.010 570 HB3 ALA 77 3HB ALA 77 -6.117 0.428 -1.233 571 H ILE 78 H ILE 78 -9.526 1.653 -0.342 572 HA ILE 78 HA ILE 78 -8.185 3.908 0.667 573 HB ILE 78 HB ILE 78 -11.116 3.368 0.227 574 HG12 ILE 78 1HG1 ILE 78 -9.336 3.642 -1.667 575 HG13 ILE 78 2HG1 ILE 78 -10.870 4.497 -1.790 576 HG21 ILE 78 1HG2 ILE 78 -11.285 5.918 0.415 577 HG22 ILE 78 2HG2 ILE 78 -11.182 4.986 1.908 578 HG23 ILE 78 3HG2 ILE 78 -9.757 5.820 1.290 579 HD11 ILE 78 1HD1 ILE 78 -9.909 6.521 -1.568 580 HD12 ILE 78 2HD1 ILE 78 -8.677 5.937 -0.448 581 HD13 ILE 78 3HD1 ILE 78 -8.499 5.657 -2.180 582 H GLU 79 H GLU 79 -10.171 1.480 2.206 583 HA GLU 79 HA GLU 79 -10.381 2.965 4.682 584 HB2 GLU 79 1HB GLU 79 -11.965 1.464 5.280 585 HB3 GLU 79 2HB GLU 79 -11.970 1.091 3.562 586 HG2 GLU 79 1HG GLU 79 -10.446 -0.762 3.939 587 HG3 GLU 79 2HG GLU 79 -10.384 -0.375 5.657 588 H LEU 80 H LEU 80 -8.360 0.506 3.287 589 HA LEU 80 HA LEU 80 -7.238 -0.517 5.670 590 HB2 LEU 80 1HB LEU 80 -6.203 -0.400 2.846 591 HB3 LEU 80 2HB LEU 80 -5.359 -1.227 4.153 592 HG LEU 80 HG LEU 80 -8.052 -1.933 2.995 593 HD11 LEU 80 1HD1 LEU 80 -5.916 -2.541 1.759 594 HD12 LEU 80 2HD1 LEU 80 -7.019 -3.862 2.145 595 HD13 LEU 80 3HD1 LEU 80 -5.567 -3.615 3.114 596 HD21 LEU 80 1HD2 LEU 80 -7.993 -3.840 4.557 597 HD22 LEU 80 2HD2 LEU 80 -8.113 -2.288 5.386 598 HD23 LEU 80 3HD2 LEU 80 -6.569 -3.140 5.328 599 H ILE 81 H ILE 81 -6.365 2.178 3.570 600 HA ILE 81 HA ILE 81 -3.881 2.785 4.738 601 HB ILE 81 HB ILE 81 -5.789 4.753 3.476 602 HG12 ILE 81 1HG1 ILE 81 -3.577 3.329 2.023 603 HG13 ILE 81 2HG1 ILE 81 -5.172 2.597 2.162 604 HG21 ILE 81 1HG2 ILE 81 -3.670 5.918 2.867 605 HG22 ILE 81 2HG2 ILE 81 -3.995 5.865 4.598 606 HG23 ILE 81 3HG2 ILE 81 -2.806 4.771 3.891 607 HD11 ILE 81 1HD1 ILE 81 -5.189 5.374 1.243 608 HD12 ILE 81 2HD1 ILE 81 -4.389 4.237 0.158 609 HD13 ILE 81 3HD1 ILE 81 -6.063 3.967 0.640 610 H LYS 82 H LYS 82 -7.156 3.531 5.677 611 HA LYS 82 HA LYS 82 -6.222 5.331 7.788 612 HB2 LYS 82 1HB LYS 82 -8.794 5.507 8.161 613 HB3 LYS 82 2HB LYS 82 -8.063 6.314 6.780 614 HG2 LYS 82 1HG LYS 82 -8.740 4.479 5.331 615 HG3 LYS 82 2HG LYS 82 -9.446 3.639 6.714 616 HD2 LYS 82 1HD LYS 82 -11.165 4.795 5.426 617 HD3 LYS 82 2HD LYS 82 -11.011 5.494 7.039 618 HE2 LYS 82 1HE LYS 82 -9.874 7.388 6.218 619 HE3 LYS 82 2HE LYS 82 -9.570 6.627 4.657 620 HZ1 LYS 82 1HZ LYS 82 -11.943 6.712 4.198 621 HZ2 LYS 82 2HZ LYS 82 -11.337 8.260 4.506 622 HZ3 LYS 82 3HZ LYS 82 -12.230 7.451 5.693 623 H SER 83 H SER 83 -7.123 2.094 7.295 624 HA SER 83 HA SER 83 -8.163 1.565 9.910 625 HB2 SER 83 1HB SER 83 -8.599 0.199 7.797 626 HB3 SER 83 2HB SER 83 -6.987 -0.478 8.024 627 HG SER 83 HG SER 83 -8.003 -0.776 10.328 628 H GLY 84 H GLY 84 -5.005 1.439 8.384 629 HA2 GLY 84 1HA GLY 84 -3.685 -0.011 10.436 630 HA3 GLY 84 2HA GLY 84 -2.911 0.994 9.220 631 H GLY 85 H GLY 85 -4.064 3.465 9.824 632 HA2 GLY 85 1HA GLY 85 -4.377 4.730 11.994 633 HA3 GLY 85 2HA GLY 85 -2.873 3.961 12.481 634 H ARG 86 H ARG 86 -1.587 5.724 12.699 635 HA ARG 86 HA ARG 86 -1.538 7.822 10.735 636 HB2 ARG 86 1HB ARG 86 -0.209 7.267 13.325 637 HB3 ARG 86 2HB ARG 86 0.669 8.299 12.204 638 HG2 ARG 86 1HG ARG 86 -0.930 9.964 12.277 639 HG3 ARG 86 2HG ARG 86 -2.196 8.864 12.826 640 HD2 ARG 86 1HD ARG 86 -1.354 8.810 15.013 641 HD3 ARG 86 2HD ARG 86 0.203 9.475 14.521 642 HE ARG 86 HE ARG 86 -2.184 10.940 15.161 643 HH11 ARG 86 2HH1 ARG 86 0.821 10.996 13.404 644 HH12 ARG 86 1HH1 ARG 86 0.926 12.725 13.380 645 HH21 ARG 86 2HH2 ARG 86 -2.058 13.217 15.136 646 HH22 ARG 86 1HH2 ARG 86 -0.712 13.988 14.366 647 H ARG 87 H ARG 87 0.169 4.865 11.291 648 HA ARG 87 HA ARG 87 2.127 5.576 9.211 649 HB2 ARG 87 1HB ARG 87 2.298 3.308 11.201 650 HB3 ARG 87 2HB ARG 87 3.561 3.852 10.105 651 HG2 ARG 87 1HG ARG 87 3.918 5.828 11.321 652 HG3 ARG 87 2HG ARG 87 2.410 5.641 12.218 653 HD2 ARG 87 1HD ARG 87 4.709 3.707 12.411 654 HD3 ARG 87 2HD ARG 87 4.508 5.086 13.492 655 HE ARG 87 HE ARG 87 2.230 3.313 13.323 656 HH11 ARG 87 2HH1 ARG 87 5.189 4.101 14.978 657 HH12 ARG 87 1HH1 ARG 87 4.743 3.283 16.439 658 HH21 ARG 87 2HH2 ARG 87 1.631 2.233 15.240 659 HH22 ARG 87 1HH2 ARG 87 2.719 2.220 16.586 660 H VAL 88 H VAL 88 1.878 4.688 7.276 661 HA VAL 88 HA VAL 88 0.342 2.179 7.066 662 HB VAL 88 HB VAL 88 -0.920 4.059 6.134 663 HG11 VAL 88 1HG1 VAL 88 1.466 5.101 5.403 664 HG12 VAL 88 2HG1 VAL 88 0.902 4.457 3.860 665 HG13 VAL 88 3HG1 VAL 88 -0.085 5.621 4.744 666 HG21 VAL 88 1HG2 VAL 88 -1.327 1.966 5.097 667 HG22 VAL 88 2HG2 VAL 88 -1.180 3.147 3.796 668 HG23 VAL 88 3HG2 VAL 88 0.162 2.063 4.158 669 H ARG 89 H ARG 89 1.184 0.552 5.868 670 HA ARG 89 HA ARG 89 3.639 1.090 4.342 671 HB2 ARG 89 1HB ARG 89 4.440 0.145 6.370 672 HB3 ARG 89 2HB ARG 89 3.172 -1.074 6.387 673 HG2 ARG 89 1HG ARG 89 4.267 -1.857 4.161 674 HG3 ARG 89 2HG ARG 89 5.665 -0.958 4.755 675 HD2 ARG 89 1HD ARG 89 5.409 -2.271 6.911 676 HD3 ARG 89 2HD ARG 89 4.276 -3.298 6.034 677 HE ARG 89 HE ARG 89 6.626 -3.136 4.538 678 HH11 ARG 89 2HH1 ARG 89 5.527 -4.400 7.591 679 HH12 ARG 89 1HH1 ARG 89 6.691 -5.683 7.626 680 HH21 ARG 89 2HH2 ARG 89 8.163 -4.821 4.574 681 HH22 ARG 89 1HH2 ARG 89 8.191 -5.921 5.911 682 H LEU 90 H LEU 90 3.178 0.648 2.292 683 HA LEU 90 HA LEU 90 1.643 -1.795 1.702 684 HB2 LEU 90 1HB LEU 90 1.104 -0.375 -0.471 685 HB3 LEU 90 2HB LEU 90 0.109 -0.296 0.982 686 HG LEU 90 HG LEU 90 2.324 1.663 0.749 687 HD11 LEU 90 1HD1 LEU 90 -0.181 2.443 -0.597 688 HD12 LEU 90 2HD1 LEU 90 0.872 1.344 -1.487 689 HD13 LEU 90 3HD1 LEU 90 1.487 2.903 -0.938 690 HD21 LEU 90 1HD2 LEU 90 -0.147 2.823 1.423 691 HD22 LEU 90 2HD2 LEU 90 1.208 2.461 2.493 692 HD23 LEU 90 3HD2 LEU 90 -0.076 1.273 2.263 693 H LEU 91 H LEU 91 2.303 -3.023 -0.056 694 HA LEU 91 HA LEU 91 5.072 -2.644 -0.827 695 HB2 LEU 91 1HB LEU 91 3.961 -4.854 -0.151 696 HB3 LEU 91 2HB LEU 91 3.261 -4.844 -1.768 697 HG LEU 91 HG LEU 91 6.190 -4.975 -1.060 698 HD11 LEU 91 1HD1 LEU 91 6.050 -7.158 -2.206 699 HD12 LEU 91 2HD1 LEU 91 4.304 -6.948 -2.339 700 HD13 LEU 91 3HD1 LEU 91 5.057 -7.080 -0.750 701 HD21 LEU 91 1HD2 LEU 91 5.861 -3.593 -3.041 702 HD22 LEU 91 2HD2 LEU 91 4.868 -4.856 -3.770 703 HD23 LEU 91 3HD2 LEU 91 6.583 -5.144 -3.468 704 H LEU 92 H LEU 92 5.466 -1.284 -2.448 705 HA LEU 92 HA LEU 92 3.620 -1.228 -4.734 706 HB2 LEU 92 1HB LEU 92 4.295 0.870 -3.367 707 HB3 LEU 92 2HB LEU 92 5.803 0.766 -4.272 708 HG LEU 92 HG LEU 92 4.380 0.859 -6.373 709 HD11 LEU 92 1HD1 LEU 92 2.163 1.117 -6.288 710 HD12 LEU 92 2HD1 LEU 92 2.253 2.263 -4.951 711 HD13 LEU 92 3HD1 LEU 92 2.297 0.530 -4.631 712 HD21 LEU 92 1HD2 LEU 92 5.335 2.872 -6.263 713 HD22 LEU 92 2HD2 LEU 92 5.126 2.968 -4.514 714 HD23 LEU 92 3HD2 LEU 92 3.806 3.436 -5.587 715 H LYS 93 H LYS 93 4.510 -1.120 -6.883 716 HA LYS 93 HA LYS 93 7.198 -2.302 -7.111 717 HB2 LYS 93 1HB LYS 93 5.621 -4.067 -7.538 718 HB3 LYS 93 2HB LYS 93 4.693 -3.044 -8.628 719 HG2 LYS 93 1HG LYS 93 7.014 -2.951 -9.907 720 HG3 LYS 93 2HG LYS 93 7.232 -4.499 -9.086 721 HD2 LYS 93 1HD LYS 93 4.825 -3.790 -10.758 722 HD3 LYS 93 2HD LYS 93 6.225 -4.680 -11.362 723 HE2 LYS 93 1HE LYS 93 4.907 -6.442 -10.782 724 HE3 LYS 93 2HE LYS 93 5.709 -6.179 -9.234 725 HZ1 LYS 93 1HZ LYS 93 3.743 -4.684 -8.709 726 HZ2 LYS 93 2HZ LYS 93 3.455 -6.350 -8.723 727 HZ3 LYS 93 3HZ LYS 93 2.973 -5.398 -10.035 728 H ARG 94 H ARG 94 8.545 -1.246 -8.419 729 HA ARG 94 HA ARG 94 7.468 0.937 -10.045 730 HB2 ARG 94 1HB ARG 94 9.216 1.587 -8.516 731 HB3 ARG 94 2HB ARG 94 10.272 0.313 -9.111 732 HG2 ARG 94 1HG ARG 94 11.062 2.300 -10.078 733 HG3 ARG 94 2HG ARG 94 10.177 1.470 -11.359 734 HD2 ARG 94 1HD ARG 94 8.200 2.878 -10.824 735 HD3 ARG 94 2HD ARG 94 9.194 3.764 -9.668 736 HE ARG 94 HE ARG 94 10.542 3.852 -12.076 737 HH11 ARG 94 2HH1 ARG 94 7.461 4.894 -10.834 738 HH12 ARG 94 1HH1 ARG 94 7.338 6.246 -11.910 739 HH21 ARG 94 2HH2 ARG 94 10.392 5.630 -13.498 740 HH22 ARG 94 1HH2 ARG 94 9.005 6.663 -13.426 741 H GLY 95 H GLY 95 7.450 0.883 -12.207 742 HA2 GLY 95 1HA GLY 95 8.437 -1.515 -13.531 743 HA3 GLY 95 2HA GLY 95 7.415 -0.275 -14.243 744 H THR 96 H THR 96 10.581 -0.070 -12.638 745 HA THR 96 HA THR 96 11.571 1.737 -14.620 746 HB THR 96 HB THR 96 12.336 1.874 -12.293 747 HG1 THR 96 1HG THR 96 14.571 1.124 -13.867 748 HG21 THR 96 1HG2 THR 96 14.127 -0.469 -12.600 749 HG22 THR 96 2HG2 THR 96 12.428 -0.799 -12.260 750 HG23 THR 96 3HG2 THR 96 13.372 0.198 -11.153 751 H GLY 97 H GLY 97 11.313 -1.627 -14.475 752 HA2 GLY 97 1HA GLY 97 13.694 -2.283 -15.944 753 HA3 GLY 97 2HA GLY 97 12.342 -3.356 -15.613 754 H SER 98 H SER 98 13.356 -3.685 -18.000 755 HA SER 98 HA SER 98 12.052 -1.954 -19.935 756 HB2 SER 98 1HB SER 98 13.398 -2.942 -21.553 757 HB3 SER 98 2HB SER 98 14.418 -3.067 -20.120 758 HG SER 98 HG SER 98 14.417 -5.067 -21.024 759 H GLY 99 H GLY 99 10.915 -4.271 -18.032 760 HA2 GLY 99 1HA GLY 99 9.333 -5.961 -18.216 761 HA3 GLY 99 2HA GLY 99 8.506 -4.708 -19.130 762 HA PRO 100 HA PRO 100 8.484 -7.485 -22.541 763 HB2 PRO 100 1HB PRO 100 7.985 -5.696 -24.521 764 HB3 PRO 100 2HB PRO 100 6.754 -6.217 -23.365 765 HG2 PRO 100 1HG PRO 100 8.412 -3.724 -23.373 766 HG3 PRO 100 2HG PRO 100 6.684 -3.917 -23.023 767 HD2 PRO 100 1HD PRO 100 8.545 -3.659 -21.073 768 HD3 PRO 100 2HD PRO 100 7.072 -4.627 -20.865 769 H SER 101 H SER 101 9.990 -8.331 -23.860 770 HA SER 101 HA SER 101 12.522 -6.973 -24.132 771 HB2 SER 101 1HB SER 101 11.626 -9.674 -25.167 772 HB3 SER 101 2HB SER 101 13.284 -9.074 -25.171 773 HG SER 101 HG SER 101 12.667 -8.784 -22.743 774 H SER 102 H SER 102 10.550 -5.560 -25.455 775 HA SER 102 HA SER 102 10.903 -6.175 -28.298 776 HB2 SER 102 1HB SER 102 9.137 -4.462 -28.654 777 HB3 SER 102 2HB SER 102 8.607 -5.772 -27.599 778 HG SER 102 HG SER 102 8.801 -4.444 -25.851 779 H GLY 103 H GLY 103 11.527 -4.505 -29.788 780 HA2 GLY 103 1HA GLY 103 12.280 -2.116 -29.940 781 HA3 GLY 103 2HA GLY 103 13.261 -2.472 -28.526 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.396 -26.937 -17.667 2 HA2 GLY 1 1HA GLY 1 8.954 -24.406 -17.483 3 HA3 GLY 1 2HA GLY 1 8.548 -25.444 -18.841 4 H SER 2 H SER 2 7.284 -24.519 -16.123 5 HA SER 2 HA SER 2 6.055 -27.128 -15.590 6 HB2 SER 2 1HB SER 2 6.908 -25.232 -13.392 7 HB3 SER 2 2HB SER 2 6.176 -26.824 -13.194 8 HG SER 2 HG SER 2 8.757 -26.201 -13.465 9 H SER 3 H SER 3 3.893 -27.066 -15.232 10 HA SER 3 HA SER 3 2.379 -24.913 -16.098 11 HB2 SER 3 1HB SER 3 0.443 -26.080 -15.158 12 HB3 SER 3 2HB SER 3 1.527 -27.227 -15.944 13 HG SER 3 HG SER 3 2.414 -27.280 -13.594 14 H GLY 4 H GLY 4 2.837 -22.960 -15.164 15 HA2 GLY 4 1HA GLY 4 1.462 -21.950 -13.093 16 HA3 GLY 4 2HA GLY 4 2.837 -22.678 -12.275 17 H SER 5 H SER 5 2.824 -20.211 -11.727 18 HA SER 5 HA SER 5 4.684 -18.918 -13.609 19 HB2 SER 5 1HB SER 5 3.676 -16.799 -13.263 20 HB3 SER 5 2HB SER 5 2.334 -17.910 -13.530 21 HG SER 5 HG SER 5 2.584 -18.033 -11.021 22 H SER 6 H SER 6 6.234 -17.484 -12.657 23 HA SER 6 HA SER 6 6.635 -17.856 -9.767 24 HB2 SER 6 1HB SER 6 8.851 -17.982 -11.823 25 HB3 SER 6 2HB SER 6 9.000 -18.248 -10.086 26 HG SER 6 HG SER 6 7.499 -19.843 -11.895 27 H GLY 7 H GLY 7 6.380 -15.881 -8.940 28 HA2 GLY 7 1HA GLY 7 6.368 -13.555 -8.850 29 HA3 GLY 7 2HA GLY 7 8.097 -13.834 -8.984 30 H GLN 8 H GLN 8 5.160 -13.237 -10.857 31 HA GLN 8 HA GLN 8 6.691 -12.575 -13.227 32 HB2 GLN 8 1HB GLN 8 3.755 -12.675 -12.588 33 HB3 GLN 8 2HB GLN 8 4.337 -11.947 -14.079 34 HG2 GLN 8 1HG GLN 8 5.135 -14.724 -13.305 35 HG3 GLN 8 2HG GLN 8 3.600 -14.403 -14.110 36 HE21 GLN 8 1HE2 GLN 8 4.036 -15.370 -16.025 37 HE22 GLN 8 2HE2 GLN 8 5.259 -14.834 -17.121 38 H ASP 9 H ASP 9 7.202 -10.970 -10.912 39 HA ASP 9 HA ASP 9 6.100 -8.372 -11.755 40 HB2 ASP 9 1HB ASP 9 7.465 -8.755 -9.119 41 HB3 ASP 9 2HB ASP 9 6.200 -7.614 -9.566 42 H PHE 10 H PHE 10 7.656 -6.508 -11.217 43 HA PHE 10 HA PHE 10 10.347 -7.264 -12.146 44 HB2 PHE 10 1HB PHE 10 10.481 -5.031 -13.175 45 HB3 PHE 10 2HB PHE 10 9.122 -5.953 -13.809 46 HD1 PHE 10 2HD PHE 10 6.826 -5.373 -13.175 47 HD2 PHE 10 1HD PHE 10 10.151 -3.032 -11.919 48 HE1 PHE 10 2HE PHE 10 5.305 -3.526 -12.602 49 HE2 PHE 10 1HE PHE 10 8.635 -1.182 -11.343 50 HZ PHE 10 HZ PHE 10 6.209 -1.427 -11.686 51 H ASP 11 H ASP 11 8.565 -5.931 -9.609 52 HA ASP 11 HA ASP 11 10.838 -5.534 -7.983 53 HB2 ASP 11 1HB ASP 11 11.103 -3.501 -9.331 54 HB3 ASP 11 2HB ASP 11 9.461 -3.010 -8.925 55 H TYR 12 H TYR 12 10.062 -6.276 -6.130 56 HA TYR 12 HA TYR 12 7.351 -5.456 -5.312 57 HB2 TYR 12 1HB TYR 12 8.732 -8.066 -5.254 58 HB3 TYR 12 2HB TYR 12 7.824 -7.664 -3.801 59 HD1 TYR 12 1HD TYR 12 6.654 -6.302 -6.954 60 HD2 TYR 12 2HD TYR 12 6.346 -9.595 -4.278 61 HE1 TYR 12 1HE TYR 12 4.574 -7.001 -8.064 62 HE2 TYR 12 2HE TYR 12 4.266 -10.305 -5.381 63 HH TYR 12 HH TYR 12 3.208 -10.006 -7.682 64 H PHE 13 H PHE 13 8.460 -3.546 -4.421 65 HA PHE 13 HA PHE 13 9.865 -4.117 -1.900 66 HB2 PHE 13 1HB PHE 13 10.932 -2.023 -2.068 67 HB3 PHE 13 2HB PHE 13 10.955 -2.661 -3.709 68 HD1 PHE 13 1HD PHE 13 9.467 -1.734 -5.421 69 HD2 PHE 13 2HD PHE 13 9.678 -0.074 -1.508 70 HE1 PHE 13 1HE PHE 13 8.362 0.309 -6.233 71 HE2 PHE 13 2HE PHE 13 8.573 1.972 -2.313 72 HZ PHE 13 HZ PHE 13 7.913 2.165 -4.677 73 H THR 14 H THR 14 9.288 -2.976 -0.006 74 HA THR 14 HA THR 14 6.454 -2.274 0.079 75 HB THR 14 HB THR 14 6.723 -2.356 2.544 76 HG1 THR 14 1HG THR 14 9.180 -1.950 2.164 77 HG21 THR 14 1HG2 THR 14 7.418 -4.860 2.593 78 HG22 THR 14 2HG2 THR 14 7.486 -4.698 0.838 79 HG23 THR 14 3HG2 THR 14 5.977 -4.385 1.695 80 H VAL 15 H VAL 15 5.751 -0.409 1.347 81 HA VAL 15 HA VAL 15 7.668 1.825 1.160 82 HB VAL 15 HB VAL 15 4.662 1.959 0.883 83 HG11 VAL 15 1HG1 VAL 15 5.491 3.986 1.849 84 HG12 VAL 15 2HG1 VAL 15 6.801 4.071 0.669 85 HG13 VAL 15 3HG1 VAL 15 5.130 4.295 0.151 86 HG21 VAL 15 1HG2 VAL 15 5.102 2.490 -1.468 87 HG22 VAL 15 2HG2 VAL 15 6.826 2.230 -1.203 88 HG23 VAL 15 3HG2 VAL 15 5.697 0.885 -1.046 89 H ASP 16 H ASP 16 7.635 3.407 2.787 90 HA ASP 16 HA ASP 16 6.059 2.788 5.185 91 HB2 ASP 16 1HB ASP 16 8.290 1.815 5.512 92 HB3 ASP 16 2HB ASP 16 9.027 3.377 5.166 93 H MET 17 H MET 17 4.898 4.515 5.686 94 HA MET 17 HA MET 17 6.135 7.137 5.748 95 HB2 MET 17 1HB MET 17 3.521 7.059 4.331 96 HB3 MET 17 2HB MET 17 4.860 8.186 4.158 97 HG2 MET 17 1HG MET 17 6.129 6.348 3.019 98 HG3 MET 17 2HG MET 17 4.634 5.415 3.022 99 HE1 MET 17 1HE MET 17 2.254 7.343 0.821 100 HE2 MET 17 2HE MET 17 2.437 6.560 2.391 101 HE3 MET 17 3HE MET 17 2.557 8.316 2.261 102 H GLU 18 H GLU 18 4.460 8.799 6.561 103 HA GLU 18 HA GLU 18 2.703 7.496 8.536 104 HB2 GLU 18 1HB GLU 18 4.766 9.596 8.868 105 HB3 GLU 18 2HB GLU 18 3.269 9.830 9.758 106 HG2 GLU 18 1HG GLU 18 3.582 7.940 11.047 107 HG3 GLU 18 2HG GLU 18 4.693 7.210 9.889 108 H LYS 19 H LYS 19 1.117 9.207 9.477 109 HA LYS 19 HA LYS 19 -0.363 10.255 7.228 110 HB2 LYS 19 1HB LYS 19 -1.269 9.065 9.372 111 HB3 LYS 19 2HB LYS 19 -1.156 10.666 10.090 112 HG2 LYS 19 1HG LYS 19 -2.825 11.528 8.771 113 HG3 LYS 19 2HG LYS 19 -2.575 10.339 7.491 114 HD2 LYS 19 1HD LYS 19 -3.476 9.350 10.144 115 HD3 LYS 19 2HD LYS 19 -4.648 10.216 9.147 116 HE2 LYS 19 1HE LYS 19 -3.018 8.080 7.872 117 HE3 LYS 19 2HE LYS 19 -4.317 7.596 8.961 118 HZ1 LYS 19 1HZ LYS 19 -5.252 9.594 7.209 119 HZ2 LYS 19 2HZ LYS 19 -5.786 7.998 7.374 120 HZ3 LYS 19 3HZ LYS 19 -4.530 8.363 6.301 121 H GLY 20 H GLY 20 -1.105 12.435 7.048 122 HA2 GLY 20 1HA GLY 20 0.643 14.379 8.428 123 HA3 GLY 20 2HA GLY 20 0.218 14.525 6.729 124 H ALA 21 H ALA 21 -0.509 16.681 7.376 125 HA ALA 21 HA ALA 21 -2.516 17.253 9.185 126 HB1 ALA 21 1HB ALA 21 -1.152 18.635 7.174 127 HB2 ALA 21 2HB ALA 21 -2.866 18.835 6.809 128 HB3 ALA 21 3HB ALA 21 -2.240 19.308 8.389 129 H LYS 22 H LYS 22 -2.894 16.471 5.729 130 HA LYS 22 HA LYS 22 -5.731 15.886 6.258 131 HB2 LYS 22 1HB LYS 22 -4.344 16.687 3.695 132 HB3 LYS 22 2HB LYS 22 -6.027 16.183 3.787 133 HG2 LYS 22 1HG LYS 22 -5.001 18.465 5.432 134 HG3 LYS 22 2HG LYS 22 -5.505 18.690 3.756 135 HD2 LYS 22 1HD LYS 22 -7.721 18.067 4.226 136 HD3 LYS 22 2HD LYS 22 -7.279 17.351 5.778 137 HE2 LYS 22 1HE LYS 22 -7.174 20.288 5.096 138 HE3 LYS 22 2HE LYS 22 -8.426 19.501 6.055 139 HZ1 LYS 22 1HZ LYS 22 -5.568 19.856 6.750 140 HZ2 LYS 22 2HZ LYS 22 -6.590 18.806 7.594 141 HZ3 LYS 22 3HZ LYS 22 -6.919 20.465 7.567 142 H GLY 23 H GLY 23 -3.496 14.069 6.747 143 HA2 GLY 23 1HA GLY 23 -3.751 11.679 6.600 144 HA3 GLY 23 2HA GLY 23 -4.385 11.891 4.975 145 H PHE 24 H PHE 24 -2.615 10.049 4.971 146 HA PHE 24 HA PHE 24 0.090 10.576 5.025 147 HB2 PHE 24 1HB PHE 24 -1.518 8.693 3.304 148 HB3 PHE 24 2HB PHE 24 0.241 8.740 3.250 149 HD1 PHE 24 1HD PHE 24 1.561 8.059 5.200 150 HD2 PHE 24 2HD PHE 24 -2.681 7.719 5.143 151 HE1 PHE 24 1HE PHE 24 1.661 6.530 7.125 152 HE2 PHE 24 2HE PHE 24 -2.588 6.190 7.069 153 HZ PHE 24 HZ PHE 24 -0.415 5.594 8.063 154 H GLY 25 H GLY 25 -2.243 11.813 2.877 155 HA2 GLY 25 1HA GLY 25 -2.027 13.376 1.196 156 HA3 GLY 25 2HA GLY 25 -0.300 13.414 1.523 157 H PHE 26 H PHE 26 -2.365 10.705 0.523 158 HA PHE 26 HA PHE 26 -1.219 10.706 -2.135 159 HB2 PHE 26 1HB PHE 26 0.006 8.749 -2.021 160 HB3 PHE 26 2HB PHE 26 0.321 9.431 -0.428 161 HD1 PHE 26 2HD PHE 26 -2.152 7.204 -2.115 162 HD2 PHE 26 1HD PHE 26 0.118 8.045 1.386 163 HE1 PHE 26 2HE PHE 26 -3.006 5.146 -1.070 164 HE2 PHE 26 1HE PHE 26 -0.732 5.989 2.436 165 HZ PHE 26 HZ PHE 26 -2.297 4.537 1.208 166 H SER 27 H SER 27 -2.618 9.913 -3.588 167 HA SER 27 HA SER 27 -5.035 8.596 -2.552 168 HB2 SER 27 1HB SER 27 -5.382 10.752 -3.725 169 HB3 SER 27 2HB SER 27 -4.650 10.063 -5.174 170 HG SER 27 HG SER 27 -7.167 9.949 -4.471 171 H ILE 28 H ILE 28 -6.048 6.971 -3.964 172 HA ILE 28 HA ILE 28 -4.062 5.475 -5.544 173 HB ILE 28 HB ILE 28 -5.676 3.485 -4.711 174 HG12 ILE 28 1HG1 ILE 28 -5.376 5.137 -2.218 175 HG13 ILE 28 2HG1 ILE 28 -6.810 5.290 -3.227 176 HG21 ILE 28 1HG2 ILE 28 -3.216 3.562 -4.644 177 HG22 ILE 28 2HG2 ILE 28 -3.303 4.517 -3.165 178 HG23 ILE 28 3HG2 ILE 28 -3.907 2.860 -3.181 179 HD11 ILE 28 1HD1 ILE 28 -7.356 3.762 -1.530 180 HD12 ILE 28 2HD1 ILE 28 -7.084 2.793 -2.979 181 HD13 ILE 28 3HD1 ILE 28 -5.843 2.879 -1.730 182 H ARG 29 H ARG 29 -5.169 3.788 -6.967 183 HA ARG 29 HA ARG 29 -7.835 4.529 -7.855 184 HB2 ARG 29 1HB ARG 29 -7.258 5.071 -10.080 185 HB3 ARG 29 2HB ARG 29 -6.141 5.986 -9.076 186 HG2 ARG 29 1HG ARG 29 -4.331 4.728 -9.696 187 HG3 ARG 29 2HG ARG 29 -5.310 3.307 -10.067 188 HD2 ARG 29 1HD ARG 29 -4.823 3.973 -12.189 189 HD3 ARG 29 2HD ARG 29 -6.283 4.926 -11.925 190 HE ARG 29 HE ARG 29 -3.819 6.248 -11.203 191 HH11 ARG 29 2HH1 ARG 29 -6.170 5.650 -13.699 192 HH12 ARG 29 1HH1 ARG 29 -5.764 7.071 -14.604 193 HH21 ARG 29 2HH2 ARG 29 -3.275 8.122 -12.384 194 HH22 ARG 29 1HH2 ARG 29 -4.117 8.476 -13.855 195 H GLY 30 H GLY 30 -8.658 3.024 -9.535 196 HA2 GLY 30 1HA GLY 30 -8.832 0.933 -10.532 197 HA3 GLY 30 2HA GLY 30 -7.230 0.543 -9.924 198 H GLY 31 H GLY 31 -8.542 -1.547 -9.640 199 HA2 GLY 31 1HA GLY 31 -8.669 -2.655 -7.352 200 HA3 GLY 31 2HA GLY 31 -9.950 -1.491 -7.047 201 H ARG 32 H ARG 32 -10.697 -3.966 -6.658 202 HA ARG 32 HA ARG 32 -11.501 -5.523 -8.823 203 HB2 ARG 32 1HB ARG 32 -12.316 -5.281 -5.977 204 HB3 ARG 32 2HB ARG 32 -13.422 -6.124 -7.053 205 HG2 ARG 32 1HG ARG 32 -10.520 -6.813 -6.636 206 HG3 ARG 32 2HG ARG 32 -11.895 -7.658 -5.923 207 HD2 ARG 32 1HD ARG 32 -12.639 -7.819 -8.458 208 HD3 ARG 32 2HD ARG 32 -10.905 -7.652 -8.726 209 HE ARG 32 HE ARG 32 -11.120 -9.610 -6.837 210 HH11 ARG 32 2HH1 ARG 32 -12.409 -9.118 -10.033 211 HH12 ARG 32 1HH1 ARG 32 -12.482 -10.808 -10.405 212 HH21 ARG 32 2HH2 ARG 32 -11.212 -11.838 -7.315 213 HH22 ARG 32 1HH2 ARG 32 -11.802 -12.355 -8.859 214 H GLU 33 H GLU 33 -12.588 -2.471 -7.902 215 HA GLU 33 HA GLU 33 -15.306 -2.715 -8.786 216 HB2 GLU 33 1HB GLU 33 -13.735 -0.158 -8.492 217 HB3 GLU 33 2HB GLU 33 -15.479 -0.367 -8.408 218 HG2 GLU 33 1HG GLU 33 -14.968 -1.872 -6.376 219 HG3 GLU 33 2HG GLU 33 -13.396 -1.074 -6.386 220 H TYR 34 H TYR 34 -12.250 -1.925 -10.248 221 HA TYR 34 HA TYR 34 -13.636 -1.406 -12.797 222 HB2 TYR 34 1HB TYR 34 -10.832 -0.485 -12.255 223 HB3 TYR 34 2HB TYR 34 -11.996 0.137 -13.419 224 HD1 TYR 34 1HD TYR 34 -13.880 1.560 -12.637 225 HD2 TYR 34 2HD TYR 34 -10.747 0.349 -10.025 226 HE1 TYR 34 1HE TYR 34 -14.527 3.325 -11.051 227 HE2 TYR 34 2HE TYR 34 -11.386 2.111 -8.432 228 HH TYR 34 HH TYR 34 -12.922 3.656 -7.914 229 H LYS 35 H LYS 35 -12.200 -3.791 -11.245 230 HA LYS 35 HA LYS 35 -11.161 -5.724 -11.843 231 HB2 LYS 35 1HB LYS 35 -11.791 -4.789 -14.650 232 HB3 LYS 35 2HB LYS 35 -11.288 -6.415 -14.206 233 HG2 LYS 35 1HG LYS 35 -13.757 -5.136 -13.077 234 HG3 LYS 35 2HG LYS 35 -13.762 -6.042 -14.592 235 HD2 LYS 35 1HD LYS 35 -12.687 -7.199 -12.033 236 HD3 LYS 35 2HD LYS 35 -14.392 -7.316 -12.476 237 HE2 LYS 35 1HE LYS 35 -12.233 -8.184 -14.367 238 HE3 LYS 35 2HE LYS 35 -12.812 -9.258 -13.096 239 HZ1 LYS 35 1HZ LYS 35 -14.850 -7.986 -14.735 240 HZ2 LYS 35 2HZ LYS 35 -14.780 -9.561 -14.122 241 HZ3 LYS 35 3HZ LYS 35 -13.898 -9.153 -15.507 242 H MET 36 H MET 36 -9.441 -3.764 -11.175 243 HA MET 36 HA MET 36 -7.113 -4.451 -12.751 244 HB2 MET 36 1HB MET 36 -6.422 -2.073 -13.022 245 HB3 MET 36 2HB MET 36 -7.839 -2.506 -13.969 246 HG2 MET 36 1HG MET 36 -9.151 -1.580 -11.923 247 HG3 MET 36 2HG MET 36 -7.631 -0.765 -11.560 248 HE1 MET 36 1HE MET 36 -6.567 0.997 -12.806 249 HE2 MET 36 2HE MET 36 -7.474 2.149 -13.786 250 HE3 MET 36 3HE MET 36 -7.939 1.858 -12.109 251 H ASP 37 H ASP 37 -5.094 -3.641 -11.729 252 HA ASP 37 HA ASP 37 -5.136 -4.150 -8.939 253 HB2 ASP 37 1HB ASP 37 -2.808 -2.841 -10.302 254 HB3 ASP 37 2HB ASP 37 -2.810 -4.055 -9.026 255 H LEU 38 H LEU 38 -3.924 -2.618 -7.400 256 HA LEU 38 HA LEU 38 -5.260 -0.024 -7.559 257 HB2 LEU 38 1HB LEU 38 -3.938 -1.530 -5.319 258 HB3 LEU 38 2HB LEU 38 -4.438 0.152 -5.158 259 HG LEU 38 HG LEU 38 -6.453 -1.874 -6.013 260 HD11 LEU 38 1HD1 LEU 38 -6.764 -2.794 -3.957 261 HD12 LEU 38 2HD1 LEU 38 -6.098 -1.401 -3.106 262 HD13 LEU 38 3HD1 LEU 38 -5.018 -2.553 -3.893 263 HD21 LEU 38 1HD2 LEU 38 -6.638 0.757 -5.711 264 HD22 LEU 38 2HD2 LEU 38 -6.936 0.286 -4.038 265 HD23 LEU 38 3HD2 LEU 38 -7.974 -0.328 -5.325 266 H TYR 39 H TYR 39 -4.179 1.653 -8.331 267 HA TYR 39 HA TYR 39 -1.256 1.738 -7.959 268 HB2 TYR 39 1HB TYR 39 -2.659 3.261 -10.129 269 HB3 TYR 39 2HB TYR 39 -0.987 2.717 -10.058 270 HD1 TYR 39 1HD TYR 39 -4.476 1.474 -10.396 271 HD2 TYR 39 2HD TYR 39 -0.348 0.722 -11.098 272 HE1 TYR 39 1HE TYR 39 -5.070 -0.503 -11.734 273 HE2 TYR 39 2HE TYR 39 -0.930 -1.257 -12.438 274 HH TYR 39 HH TYR 39 -3.578 -1.834 -13.811 275 H VAL 40 H VAL 40 -0.379 4.026 -8.032 276 HA VAL 40 HA VAL 40 -1.798 5.588 -6.061 277 HB VAL 40 HB VAL 40 0.775 6.338 -7.442 278 HG11 VAL 40 1HG1 VAL 40 -0.737 7.298 -5.080 279 HG12 VAL 40 2HG1 VAL 40 1.024 7.279 -4.966 280 HG13 VAL 40 3HG1 VAL 40 0.233 8.196 -6.248 281 HG21 VAL 40 1HG2 VAL 40 0.265 4.105 -5.724 282 HG22 VAL 40 2HG2 VAL 40 1.778 4.604 -6.480 283 HG23 VAL 40 3HG2 VAL 40 1.323 5.253 -4.905 284 H LEU 41 H LEU 41 -3.454 6.785 -6.771 285 HA LEU 41 HA LEU 41 -3.795 7.787 -9.355 286 HB2 LEU 41 1HB LEU 41 -5.550 7.522 -7.581 287 HB3 LEU 41 2HB LEU 41 -4.922 8.990 -6.835 288 HG LEU 41 HG LEU 41 -6.968 9.358 -8.174 289 HD11 LEU 41 1HD1 LEU 41 -6.225 11.354 -9.215 290 HD12 LEU 41 2HD1 LEU 41 -4.591 10.724 -9.413 291 HD13 LEU 41 3HD1 LEU 41 -5.199 11.105 -7.803 292 HD21 LEU 41 1HD2 LEU 41 -5.700 7.691 -10.013 293 HD22 LEU 41 2HD2 LEU 41 -5.696 9.288 -10.762 294 HD23 LEU 41 3HD2 LEU 41 -7.216 8.564 -10.235 295 H ARG 42 H ARG 42 -3.092 9.732 -6.445 296 HA ARG 42 HA ARG 42 -1.154 11.300 -7.938 297 HB2 ARG 42 1HB ARG 42 -2.907 12.687 -8.516 298 HB3 ARG 42 2HB ARG 42 -3.810 12.332 -7.048 299 HG2 ARG 42 1HG ARG 42 -1.244 13.808 -6.797 300 HG3 ARG 42 2HG ARG 42 -2.652 14.663 -7.432 301 HD2 ARG 42 1HD ARG 42 -2.461 13.215 -4.793 302 HD3 ARG 42 2HD ARG 42 -2.506 14.962 -5.032 303 HE ARG 42 HE ARG 42 -4.788 13.786 -6.194 304 HH11 ARG 42 2HH1 ARG 42 -3.393 14.498 -3.084 305 HH12 ARG 42 1HH1 ARG 42 -4.923 14.627 -2.282 306 HH21 ARG 42 2HH2 ARG 42 -6.808 13.954 -5.149 307 HH22 ARG 42 1HH2 ARG 42 -6.865 14.317 -3.457 308 H LEU 43 H LEU 43 0.240 12.527 -6.616 309 HA LEU 43 HA LEU 43 0.237 11.662 -3.811 310 HB2 LEU 43 1HB LEU 43 2.344 12.364 -5.775 311 HB3 LEU 43 2HB LEU 43 2.655 12.748 -4.083 312 HG LEU 43 HG LEU 43 2.007 9.999 -5.145 313 HD11 LEU 43 1HD1 LEU 43 4.559 11.452 -4.707 314 HD12 LEU 43 2HD1 LEU 43 4.128 10.262 -5.935 315 HD13 LEU 43 3HD1 LEU 43 4.492 9.740 -4.290 316 HD21 LEU 43 1HD2 LEU 43 1.554 9.537 -3.018 317 HD22 LEU 43 2HD2 LEU 43 2.078 11.137 -2.491 318 HD23 LEU 43 3HD2 LEU 43 3.257 9.836 -2.667 319 H ALA 44 H ALA 44 0.671 13.153 -2.134 320 HA ALA 44 HA ALA 44 -0.391 15.803 -2.663 321 HB1 ALA 44 1HB ALA 44 0.339 14.398 -0.099 322 HB2 ALA 44 2HB ALA 44 -0.312 16.036 -0.183 323 HB3 ALA 44 3HB ALA 44 -1.277 14.673 -0.749 324 H GLU 45 H GLU 45 0.928 17.387 -3.257 325 HA GLU 45 HA GLU 45 3.700 17.340 -3.195 326 HB2 GLU 45 1HB GLU 45 3.525 19.850 -3.454 327 HB3 GLU 45 2HB GLU 45 2.638 18.897 -4.634 328 HG2 GLU 45 1HG GLU 45 1.041 20.418 -4.133 329 HG3 GLU 45 2HG GLU 45 0.681 19.225 -2.888 330 H ASP 46 H ASP 46 1.425 18.655 -0.833 331 HA ASP 46 HA ASP 46 3.663 19.309 0.947 332 HB2 ASP 46 1HB ASP 46 0.877 20.295 0.654 333 HB3 ASP 46 2HB ASP 46 1.537 20.251 2.287 334 H GLY 47 H GLY 47 2.404 16.591 0.338 335 HA2 GLY 47 1HA GLY 47 1.477 15.875 3.032 336 HA3 GLY 47 2HA GLY 47 1.289 14.892 1.588 337 HA PRO 48 HA PRO 48 5.077 13.676 4.207 338 HB2 PRO 48 1HB PRO 48 4.068 11.428 5.347 339 HB3 PRO 48 2HB PRO 48 3.957 13.022 6.104 340 HG2 PRO 48 1HG PRO 48 1.898 11.525 4.529 341 HG3 PRO 48 2HG PRO 48 1.704 12.450 6.029 342 HD2 PRO 48 1HD PRO 48 1.030 13.448 3.604 343 HD3 PRO 48 2HD PRO 48 1.638 14.471 4.921 344 H ALA 49 H ALA 49 2.837 12.165 2.047 345 HA ALA 49 HA ALA 49 4.353 9.815 1.501 346 HB1 ALA 49 1HB ALA 49 1.880 10.166 1.069 347 HB2 ALA 49 2HB ALA 49 2.361 11.080 -0.361 348 HB3 ALA 49 3HB ALA 49 2.798 9.377 -0.215 349 H ILE 50 H ILE 50 3.733 12.675 -0.548 350 HA ILE 50 HA ILE 50 5.559 12.142 -2.540 351 HB ILE 50 HB ILE 50 3.843 14.094 -2.286 352 HG12 ILE 50 1HG1 ILE 50 6.432 14.811 -3.641 353 HG13 ILE 50 2HG1 ILE 50 5.438 13.483 -4.229 354 HG21 ILE 50 1HG2 ILE 50 6.349 15.545 -1.470 355 HG22 ILE 50 2HG2 ILE 50 4.716 16.194 -1.612 356 HG23 ILE 50 3HG2 ILE 50 5.102 15.049 -0.326 357 HD11 ILE 50 1HD1 ILE 50 5.071 16.362 -4.489 358 HD12 ILE 50 2HD1 ILE 50 4.452 15.039 -5.479 359 HD13 ILE 50 3HD1 ILE 50 3.616 15.497 -3.995 360 H ARG 51 H ARG 51 6.173 13.015 0.710 361 HA ARG 51 HA ARG 51 8.854 14.000 0.189 362 HB2 ARG 51 1HB ARG 51 7.364 13.492 2.769 363 HB3 ARG 51 2HB ARG 51 8.987 14.161 2.676 364 HG2 ARG 51 1HG ARG 51 8.103 16.066 1.391 365 HG3 ARG 51 2HG ARG 51 6.477 15.405 1.575 366 HD2 ARG 51 1HD ARG 51 6.826 15.503 4.058 367 HD3 ARG 51 2HD ARG 51 8.321 16.383 3.746 368 HE ARG 51 HE ARG 51 6.266 17.694 2.396 369 HH11 ARG 51 2HH1 ARG 51 7.224 16.988 5.668 370 HH12 ARG 51 1HH1 ARG 51 6.490 18.411 6.328 371 HH21 ARG 51 2HH2 ARG 51 5.295 19.571 3.254 372 HH22 ARG 51 1HH2 ARG 51 5.392 19.879 4.955 373 H ASN 52 H ASN 52 7.266 11.054 1.111 374 HA ASN 52 HA ASN 52 9.425 9.699 2.289 375 HB2 ASN 52 1HB ASN 52 7.554 8.465 2.647 376 HB3 ASN 52 2HB ASN 52 6.814 8.961 1.128 377 HD21 ASN 52 1HD2 ASN 52 6.455 7.324 -0.164 378 HD22 ASN 52 2HD2 ASN 52 7.452 5.925 -0.348 379 H GLY 53 H GLY 53 8.204 9.506 -1.062 380 HA2 GLY 53 1HA GLY 53 9.579 9.501 -2.988 381 HA3 GLY 53 2HA GLY 53 10.953 9.080 -1.976 382 H ARG 54 H ARG 54 10.267 6.860 -0.691 383 HA ARG 54 HA ARG 54 10.769 4.770 -2.289 384 HB2 ARG 54 1HB ARG 54 8.926 4.857 0.097 385 HB3 ARG 54 2HB ARG 54 9.389 3.353 -0.687 386 HG2 ARG 54 1HG ARG 54 11.479 5.267 0.261 387 HG3 ARG 54 2HG ARG 54 10.697 4.157 1.388 388 HD2 ARG 54 1HD ARG 54 11.306 2.322 -0.290 389 HD3 ARG 54 2HD ARG 54 12.382 3.517 -1.014 390 HE ARG 54 HE ARG 54 13.796 3.302 0.787 391 HH11 ARG 54 2HH1 ARG 54 10.770 1.722 1.471 392 HH12 ARG 54 1HH1 ARG 54 11.348 0.952 2.912 393 HH21 ARG 54 2HH2 ARG 54 14.568 2.294 2.682 394 HH22 ARG 54 1HH2 ARG 54 13.508 1.279 3.600 395 H MET 55 H MET 55 7.709 6.423 -2.051 396 HA MET 55 HA MET 55 6.668 4.692 -4.192 397 HB2 MET 55 1HB MET 55 4.605 4.478 -3.203 398 HB3 MET 55 2HB MET 55 5.631 4.516 -1.776 399 HG2 MET 55 1HG MET 55 5.134 6.856 -1.437 400 HG3 MET 55 2HG MET 55 4.182 6.891 -2.919 401 HE1 MET 55 1HE MET 55 1.144 7.212 -1.442 402 HE2 MET 55 2HE MET 55 2.186 7.211 -2.865 403 HE3 MET 55 3HE MET 55 1.107 5.848 -2.560 404 H ARG 56 H ARG 56 5.738 5.702 -5.904 405 HA ARG 56 HA ARG 56 5.300 8.600 -5.734 406 HB2 ARG 56 1HB ARG 56 7.136 7.128 -7.547 407 HB3 ARG 56 2HB ARG 56 6.207 8.445 -8.250 408 HG2 ARG 56 1HG ARG 56 8.219 9.423 -7.593 409 HG3 ARG 56 2HG ARG 56 7.078 9.865 -6.321 410 HD2 ARG 56 1HD ARG 56 8.059 8.492 -4.774 411 HD3 ARG 56 2HD ARG 56 8.657 7.368 -5.993 412 HE ARG 56 HE ARG 56 9.970 9.758 -5.026 413 HH11 ARG 56 2HH1 ARG 56 9.812 7.316 -7.502 414 HH12 ARG 56 1HH1 ARG 56 11.445 7.558 -8.028 415 HH21 ARG 56 2HH2 ARG 56 12.121 10.086 -5.710 416 HH22 ARG 56 1HH2 ARG 56 12.758 9.134 -7.007 417 H VAL 57 H VAL 57 4.412 9.200 -8.166 418 HA VAL 57 HA VAL 57 1.911 7.725 -8.316 419 HB VAL 57 HB VAL 57 2.763 10.192 -9.838 420 HG11 VAL 57 1HG1 VAL 57 0.546 10.421 -10.543 421 HG12 VAL 57 2HG1 VAL 57 0.887 8.701 -10.749 422 HG13 VAL 57 3HG1 VAL 57 -0.047 9.257 -9.359 423 HG21 VAL 57 1HG2 VAL 57 2.431 10.088 -7.169 424 HG22 VAL 57 2HG2 VAL 57 2.037 11.502 -8.146 425 HG23 VAL 57 3HG2 VAL 57 0.766 10.374 -7.675 426 H GLY 58 H GLY 58 1.365 6.334 -9.886 427 HA2 GLY 58 1HA GLY 58 1.384 5.740 -12.248 428 HA3 GLY 58 2HA GLY 58 3.072 6.229 -12.292 429 H ASP 59 H ASP 59 2.928 4.750 -9.453 430 HA ASP 59 HA ASP 59 4.017 2.287 -10.518 431 HB2 ASP 59 1HB ASP 59 3.645 3.031 -7.614 432 HB3 ASP 59 2HB ASP 59 4.741 1.824 -8.281 433 H GLN 60 H GLN 60 3.400 0.213 -9.289 434 HA GLN 60 HA GLN 60 0.463 0.091 -9.084 435 HB2 GLN 60 1HB GLN 60 1.634 -1.069 -11.067 436 HB3 GLN 60 2HB GLN 60 2.190 -2.240 -9.878 437 HG2 GLN 60 1HG GLN 60 -0.708 -1.608 -9.968 438 HG3 GLN 60 2HG GLN 60 -0.026 -2.593 -11.261 439 HE21 GLN 60 1HE2 GLN 60 -0.503 -2.362 -7.796 440 HE22 GLN 60 2HE2 GLN 60 -0.359 -4.053 -7.472 441 H ILE 61 H ILE 61 -0.318 -0.508 -7.178 442 HA ILE 61 HA ILE 61 1.514 -1.615 -5.187 443 HB ILE 61 HB ILE 61 -1.321 -0.682 -4.751 444 HG12 ILE 61 1HG1 ILE 61 1.096 0.956 -4.064 445 HG13 ILE 61 2HG1 ILE 61 0.433 1.018 -5.693 446 HG21 ILE 61 1HG2 ILE 61 -0.379 -0.359 -2.402 447 HG22 ILE 61 2HG2 ILE 61 -0.667 -2.014 -2.938 448 HG23 ILE 61 3HG2 ILE 61 0.971 -1.361 -2.937 449 HD11 ILE 61 1HD1 ILE 61 -1.161 1.578 -3.207 450 HD12 ILE 61 2HD1 ILE 61 -0.372 2.815 -4.186 451 HD13 ILE 61 3HD1 ILE 61 -1.658 1.829 -4.880 452 H ILE 62 H ILE 62 1.560 -3.722 -4.819 453 HA ILE 62 HA ILE 62 -0.701 -5.375 -5.676 454 HB ILE 62 HB ILE 62 1.103 -7.208 -4.951 455 HG12 ILE 62 1HG1 ILE 62 2.643 -5.268 -4.258 456 HG13 ILE 62 2HG1 ILE 62 3.340 -6.544 -5.251 457 HG21 ILE 62 1HG2 ILE 62 0.625 -7.578 -7.096 458 HG22 ILE 62 2HG2 ILE 62 0.383 -5.862 -7.418 459 HG23 ILE 62 3HG2 ILE 62 2.006 -6.549 -7.476 460 HD11 ILE 62 1HD1 ILE 62 2.206 -4.283 -6.738 461 HD12 ILE 62 2HD1 ILE 62 3.614 -3.912 -5.742 462 HD13 ILE 62 3HD1 ILE 62 3.713 -5.167 -6.977 463 H GLU 63 H GLU 63 0.743 -4.102 -2.865 464 HA GLU 63 HA GLU 63 -1.042 -5.731 -1.210 465 HB2 GLU 63 1HB GLU 63 1.496 -6.464 -1.257 466 HB3 GLU 63 2HB GLU 63 1.680 -5.113 -0.147 467 HG2 GLU 63 1HG GLU 63 0.434 -6.117 1.503 468 HG3 GLU 63 2HG GLU 63 -0.433 -7.150 0.367 469 H ILE 64 H ILE 64 -1.561 -4.767 0.844 470 HA ILE 64 HA ILE 64 -0.798 -1.983 1.231 471 HB ILE 64 HB ILE 64 -3.655 -2.859 0.820 472 HG12 ILE 64 1HG1 ILE 64 -2.028 -0.686 -0.516 473 HG13 ILE 64 2HG1 ILE 64 -2.316 -2.281 -1.202 474 HG21 ILE 64 1HG2 ILE 64 -3.487 -0.073 1.275 475 HG22 ILE 64 2HG2 ILE 64 -4.320 -1.292 2.239 476 HG23 ILE 64 3HG2 ILE 64 -2.643 -0.880 2.596 477 HD11 ILE 64 1HD1 ILE 64 -4.773 -1.764 -1.073 478 HD12 ILE 64 2HD1 ILE 64 -4.316 -0.106 -0.682 479 HD13 ILE 64 3HD1 ILE 64 -3.843 -0.810 -2.228 480 H ASN 65 H ASN 65 -0.133 -1.934 3.269 481 HA ASN 65 HA ASN 65 -0.003 -2.264 5.516 482 HB2 ASN 65 1HB ASN 65 -2.924 -2.219 4.956 483 HB3 ASN 65 2HB ASN 65 -2.419 -2.794 6.543 484 HD21 ASN 65 1HD2 ASN 65 -3.743 -0.278 5.411 485 HD22 ASN 65 2HD2 ASN 65 -2.878 1.007 6.176 486 H GLY 66 H GLY 66 0.704 -4.461 4.021 487 HA2 GLY 66 1HA GLY 66 1.187 -6.688 4.316 488 HA3 GLY 66 2HA GLY 66 0.507 -6.543 5.930 489 H GLU 67 H GLU 67 -1.286 -5.838 3.001 490 HA GLU 67 HA GLU 67 -2.790 -8.342 3.341 491 HB2 GLU 67 1HB GLU 67 -3.919 -5.558 3.045 492 HB3 GLU 67 2HB GLU 67 -4.871 -7.015 2.794 493 HG2 GLU 67 1HG GLU 67 -3.382 -6.710 5.348 494 HG3 GLU 67 2HG GLU 67 -4.854 -5.772 5.103 495 H SER 68 H SER 68 -2.975 -9.455 1.517 496 HA SER 68 HA SER 68 -1.847 -8.627 -0.906 497 HB2 SER 68 1HB SER 68 -2.848 -10.641 -1.870 498 HB3 SER 68 2HB SER 68 -2.172 -10.997 -0.280 499 HG SER 68 HG SER 68 -4.903 -10.391 -0.751 500 H THR 69 H THR 69 -2.552 -7.255 -2.387 501 HA THR 69 HA THR 69 -5.380 -6.494 -2.395 502 HB THR 69 HB THR 69 -4.763 -4.508 -3.545 503 HG1 THR 69 1HG THR 69 -2.564 -4.232 -4.284 504 HG21 THR 69 1HG2 THR 69 -2.393 -4.214 -2.027 505 HG22 THR 69 2HG2 THR 69 -3.475 -5.262 -1.108 506 HG23 THR 69 3HG2 THR 69 -4.019 -3.665 -1.623 507 H ARG 70 H ARG 70 -5.622 -8.757 -3.419 508 HA ARG 70 HA ARG 70 -5.249 -8.570 -6.334 509 HB2 ARG 70 1HB ARG 70 -5.415 -11.009 -6.382 510 HB3 ARG 70 2HB ARG 70 -4.126 -10.490 -5.304 511 HG2 ARG 70 1HG ARG 70 -5.540 -10.891 -3.376 512 HG3 ARG 70 2HG ARG 70 -6.879 -11.344 -4.433 513 HD2 ARG 70 1HD ARG 70 -6.060 -13.416 -3.929 514 HD3 ARG 70 2HD ARG 70 -5.107 -13.057 -5.368 515 HE ARG 70 HE ARG 70 -3.719 -12.143 -3.108 516 HH11 ARG 70 2HH1 ARG 70 -4.701 -15.121 -4.621 517 HH12 ARG 70 1HH1 ARG 70 -3.368 -16.031 -3.992 518 HH21 ARG 70 2HH2 ARG 70 -1.960 -13.331 -2.275 519 HH22 ARG 70 1HH2 ARG 70 -1.809 -15.012 -2.657 520 H ASP 71 H ASP 71 -7.554 -9.177 -3.763 521 HA ASP 71 HA ASP 71 -9.722 -8.938 -5.739 522 HB2 ASP 71 1HB ASP 71 -11.048 -10.562 -4.514 523 HB3 ASP 71 2HB ASP 71 -9.508 -11.285 -4.968 524 H MET 72 H MET 72 -8.846 -6.700 -4.583 525 HA MET 72 HA MET 72 -10.877 -6.131 -2.526 526 HB2 MET 72 1HB MET 72 -8.290 -4.616 -2.705 527 HB3 MET 72 2HB MET 72 -9.407 -4.731 -1.351 528 HG2 MET 72 1HG MET 72 -8.766 -7.225 -1.323 529 HG3 MET 72 2HG MET 72 -7.393 -6.722 -2.306 530 HE1 MET 72 1HE MET 72 -5.823 -3.980 -0.020 531 HE2 MET 72 2HE MET 72 -6.610 -4.165 -1.587 532 HE3 MET 72 3HE MET 72 -7.520 -3.538 -0.212 533 H THR 73 H THR 73 -12.009 -4.218 -2.703 534 HA THR 73 HA THR 73 -11.927 -2.976 -5.338 535 HB THR 73 HB THR 73 -14.016 -1.775 -4.440 536 HG1 THR 73 1HG THR 73 -13.320 -2.681 -2.195 537 HG21 THR 73 1HG2 THR 73 -15.425 -3.585 -5.057 538 HG22 THR 73 2HG2 THR 73 -14.218 -4.779 -4.577 539 HG23 THR 73 3HG2 THR 73 -13.945 -3.769 -5.997 540 H HIS 74 H HIS 74 -11.588 -0.806 -5.710 541 HA HIS 74 HA HIS 74 -9.693 0.609 -4.489 542 HB2 HIS 74 1HB HIS 74 -11.147 1.262 -6.516 543 HB3 HIS 74 2HB HIS 74 -12.186 2.065 -5.343 544 HD1 HIS 74 1HD HIS 74 -11.201 4.042 -7.135 545 HD2 HIS 74 2HD HIS 74 -8.762 2.674 -4.062 546 HE1 HIS 74 1HE HIS 74 -9.457 5.826 -6.816 547 HE2 HIS 74 2HE HIS 74 -7.943 4.937 -5.011 548 H ALA 75 H ALA 75 -13.028 0.411 -3.377 549 HA ALA 75 HA ALA 75 -12.937 2.382 -1.391 550 HB1 ALA 75 1HB ALA 75 -14.877 0.796 -2.346 551 HB2 ALA 75 2HB ALA 75 -14.545 -0.028 -0.822 552 HB3 ALA 75 3HB ALA 75 -15.007 1.674 -0.822 553 H ARG 76 H ARG 76 -12.444 -1.138 -1.083 554 HA ARG 76 HA ARG 76 -11.892 -1.309 1.596 555 HB2 ARG 76 1HB ARG 76 -12.008 -3.340 0.430 556 HB3 ARG 76 2HB ARG 76 -10.821 -2.828 -0.762 557 HG2 ARG 76 1HG ARG 76 -9.897 -4.507 0.725 558 HG3 ARG 76 2HG ARG 76 -9.061 -2.966 0.923 559 HD2 ARG 76 1HD ARG 76 -9.382 -3.469 3.116 560 HD3 ARG 76 2HD ARG 76 -10.910 -2.648 2.802 561 HE ARG 76 HE ARG 76 -11.273 -5.352 2.243 562 HH11 ARG 76 2HH1 ARG 76 -10.583 -3.312 4.978 563 HH12 ARG 76 1HH1 ARG 76 -11.346 -4.366 6.122 564 HH21 ARG 76 2HH2 ARG 76 -12.281 -6.748 3.739 565 HH22 ARG 76 1HH2 ARG 76 -12.311 -6.320 5.416 566 H ALA 77 H ALA 77 -9.522 -0.710 -0.996 567 HA ALA 77 HA ALA 77 -7.242 -0.472 0.551 568 HB1 ALA 77 1HB ALA 77 -7.760 1.277 -1.837 569 HB2 ALA 77 2HB ALA 77 -6.230 0.598 -1.279 570 HB3 ALA 77 3HB ALA 77 -7.456 -0.455 -1.985 571 H ILE 78 H ILE 78 -9.479 2.123 -0.428 572 HA ILE 78 HA ILE 78 -8.197 4.234 0.860 573 HB ILE 78 HB ILE 78 -11.170 3.897 0.440 574 HG12 ILE 78 1HG1 ILE 78 -9.434 3.770 -1.549 575 HG13 ILE 78 2HG1 ILE 78 -10.928 4.686 -1.713 576 HG21 ILE 78 1HG2 ILE 78 -9.486 6.112 1.419 577 HG22 ILE 78 2HG2 ILE 78 -10.727 6.539 0.242 578 HG23 ILE 78 3HG2 ILE 78 -11.178 5.739 1.747 579 HD11 ILE 78 1HD1 ILE 78 -9.860 6.685 -1.720 580 HD12 ILE 78 2HD1 ILE 78 -8.547 6.116 -0.689 581 HD13 ILE 78 3HD1 ILE 78 -8.581 5.679 -2.397 582 H GLU 79 H GLU 79 -9.783 1.558 2.205 583 HA GLU 79 HA GLU 79 -10.381 2.921 4.719 584 HB2 GLU 79 1HB GLU 79 -12.130 1.499 4.429 585 HB3 GLU 79 2HB GLU 79 -11.194 0.379 3.448 586 HG2 GLU 79 1HG GLU 79 -11.687 -0.828 5.367 587 HG3 GLU 79 2HG GLU 79 -10.033 -0.277 5.626 588 H LEU 80 H LEU 80 -8.331 0.342 3.432 589 HA LEU 80 HA LEU 80 -7.156 -0.475 5.835 590 HB2 LEU 80 1HB LEU 80 -6.039 -0.449 3.037 591 HB3 LEU 80 2HB LEU 80 -5.285 -1.274 4.399 592 HG LEU 80 HG LEU 80 -7.869 -1.947 3.014 593 HD11 LEU 80 1HD1 LEU 80 -6.811 -4.069 2.622 594 HD12 LEU 80 2HD1 LEU 80 -5.416 -3.599 3.593 595 HD13 LEU 80 3HD1 LEU 80 -5.740 -2.784 2.063 596 HD21 LEU 80 1HD2 LEU 80 -8.175 -3.699 4.704 597 HD22 LEU 80 2HD2 LEU 80 -8.274 -2.084 5.406 598 HD23 LEU 80 3HD2 LEU 80 -6.812 -3.049 5.616 599 H ILE 81 H ILE 81 -6.384 2.180 3.665 600 HA ILE 81 HA ILE 81 -3.889 2.879 4.753 601 HB ILE 81 HB ILE 81 -5.893 4.771 3.523 602 HG12 ILE 81 1HG1 ILE 81 -3.687 3.343 2.052 603 HG13 ILE 81 2HG1 ILE 81 -5.296 2.645 2.196 604 HG21 ILE 81 1HG2 ILE 81 -2.992 4.919 4.175 605 HG22 ILE 81 2HG2 ILE 81 -3.590 5.769 2.751 606 HG23 ILE 81 3HG2 ILE 81 -4.250 6.143 4.342 607 HD11 ILE 81 1HD1 ILE 81 -6.208 4.114 0.744 608 HD12 ILE 81 2HD1 ILE 81 -5.133 5.428 1.223 609 HD13 ILE 81 3HD1 ILE 81 -4.550 4.161 0.145 610 H LYS 82 H LYS 82 -7.177 3.711 5.678 611 HA LYS 82 HA LYS 82 -6.191 5.448 7.814 612 HB2 LYS 82 1HB LYS 82 -8.833 5.599 8.131 613 HB3 LYS 82 2HB LYS 82 -7.977 6.565 6.936 614 HG2 LYS 82 1HG LYS 82 -8.541 4.948 5.205 615 HG3 LYS 82 2HG LYS 82 -9.376 3.952 6.400 616 HD2 LYS 82 1HD LYS 82 -11.010 5.247 5.209 617 HD3 LYS 82 2HD LYS 82 -10.889 5.876 6.854 618 HE2 LYS 82 1HE LYS 82 -9.466 7.688 6.073 619 HE3 LYS 82 2HE LYS 82 -9.516 7.042 4.433 620 HZ1 LYS 82 1HZ LYS 82 -12.039 7.692 5.788 621 HZ2 LYS 82 2HZ LYS 82 -11.671 7.710 4.137 622 HZ3 LYS 82 3HZ LYS 82 -11.110 8.951 5.142 623 H SER 83 H SER 83 -7.065 2.242 7.319 624 HA SER 83 HA SER 83 -8.160 1.769 9.953 625 HB2 SER 83 1HB SER 83 -8.852 0.459 7.923 626 HB3 SER 83 2HB SER 83 -7.247 -0.272 7.914 627 HG SER 83 HG SER 83 -9.266 -1.186 9.185 628 H GLY 84 H GLY 84 -5.067 1.614 8.366 629 HA2 GLY 84 1HA GLY 84 -3.772 -0.045 10.293 630 HA3 GLY 84 2HA GLY 84 -2.980 0.973 9.099 631 H GLY 85 H GLY 85 -4.156 3.447 9.932 632 HA2 GLY 85 1HA GLY 85 -4.278 4.572 12.189 633 HA3 GLY 85 2HA GLY 85 -2.741 3.782 12.504 634 H ARG 86 H ARG 86 -1.368 5.462 12.677 635 HA ARG 86 HA ARG 86 -1.485 7.666 10.796 636 HB2 ARG 86 1HB ARG 86 -0.131 7.114 13.366 637 HB3 ARG 86 2HB ARG 86 0.749 8.147 12.248 638 HG2 ARG 86 1HG ARG 86 -0.905 9.790 12.275 639 HG3 ARG 86 2HG ARG 86 -2.113 8.690 12.942 640 HD2 ARG 86 1HD ARG 86 -1.072 8.698 15.072 641 HD3 ARG 86 2HD ARG 86 0.368 9.495 14.440 642 HE ARG 86 HE ARG 86 -2.122 10.740 15.199 643 HH11 ARG 86 2HH1 ARG 86 0.828 11.043 13.376 644 HH12 ARG 86 1HH1 ARG 86 0.788 12.775 13.352 645 HH21 ARG 86 2HH2 ARG 86 -2.185 13.020 15.175 646 HH22 ARG 86 1HH2 ARG 86 -0.925 13.899 14.377 647 H ARG 87 H ARG 87 0.226 4.711 11.199 648 HA ARG 87 HA ARG 87 2.144 5.511 9.109 649 HB2 ARG 87 1HB ARG 87 2.476 3.195 11.012 650 HB3 ARG 87 2HB ARG 87 3.693 3.917 9.969 651 HG2 ARG 87 1HG ARG 87 3.708 5.925 11.304 652 HG3 ARG 87 2HG ARG 87 2.393 5.303 12.303 653 HD2 ARG 87 1HD ARG 87 3.752 3.680 13.289 654 HD3 ARG 87 2HD ARG 87 4.967 3.795 12.016 655 HE ARG 87 HE ARG 87 4.701 6.243 13.448 656 HH11 ARG 87 2HH1 ARG 87 6.102 3.059 13.592 657 HH12 ARG 87 1HH1 ARG 87 7.390 3.531 14.649 658 HH21 ARG 87 2HH2 ARG 87 6.393 6.877 14.840 659 HH22 ARG 87 1HH2 ARG 87 7.554 5.703 15.360 660 H VAL 88 H VAL 88 1.862 4.625 7.178 661 HA VAL 88 HA VAL 88 0.383 2.080 7.000 662 HB VAL 88 HB VAL 88 -0.952 3.876 6.069 663 HG11 VAL 88 1HG1 VAL 88 -0.152 5.572 4.852 664 HG12 VAL 88 2HG1 VAL 88 1.445 5.013 5.356 665 HG13 VAL 88 3HG1 VAL 88 0.778 4.499 3.806 666 HG21 VAL 88 1HG2 VAL 88 -1.208 3.026 3.751 667 HG22 VAL 88 2HG2 VAL 88 0.278 2.101 3.962 668 HG23 VAL 88 3HG2 VAL 88 -1.131 1.745 4.961 669 H ARG 89 H ARG 89 1.129 0.510 5.607 670 HA ARG 89 HA ARG 89 3.594 1.064 4.119 671 HB2 ARG 89 1HB ARG 89 4.451 0.109 6.112 672 HB3 ARG 89 2HB ARG 89 3.182 -1.106 6.165 673 HG2 ARG 89 1HG ARG 89 4.199 -1.926 3.935 674 HG3 ARG 89 2HG ARG 89 5.611 -0.991 4.431 675 HD2 ARG 89 1HD ARG 89 4.319 -2.993 6.257 676 HD3 ARG 89 2HD ARG 89 5.529 -3.472 5.067 677 HE ARG 89 HE ARG 89 6.659 -1.389 6.449 678 HH11 ARG 89 2HH1 ARG 89 5.357 -4.515 7.254 679 HH12 ARG 89 1HH1 ARG 89 6.403 -4.745 8.617 680 HH21 ARG 89 2HH2 ARG 89 8.041 -1.679 8.240 681 HH22 ARG 89 1HH2 ARG 89 7.928 -3.130 9.177 682 H LEU 90 H LEU 90 3.119 0.624 2.073 683 HA LEU 90 HA LEU 90 1.529 -1.789 1.493 684 HB2 LEU 90 1HB LEU 90 1.128 -0.355 -0.721 685 HB3 LEU 90 2HB LEU 90 0.074 -0.267 0.689 686 HG LEU 90 HG LEU 90 2.347 1.643 0.529 687 HD11 LEU 90 1HD1 LEU 90 1.710 2.614 -1.356 688 HD12 LEU 90 2HD1 LEU 90 0.088 2.838 -0.704 689 HD13 LEU 90 3HD1 LEU 90 0.485 1.367 -1.591 690 HD21 LEU 90 1HD2 LEU 90 1.244 2.495 2.253 691 HD22 LEU 90 2HD2 LEU 90 -0.006 1.263 2.078 692 HD23 LEU 90 3HD2 LEU 90 -0.150 2.796 1.215 693 H LEU 91 H LEU 91 2.048 -2.917 -0.460 694 HA LEU 91 HA LEU 91 4.891 -2.784 -1.075 695 HB2 LEU 91 1HB LEU 91 3.634 -4.921 -0.512 696 HB3 LEU 91 2HB LEU 91 2.907 -4.790 -2.111 697 HG LEU 91 HG LEU 91 5.827 -5.187 -1.474 698 HD11 LEU 91 1HD1 LEU 91 4.710 -7.239 -1.229 699 HD12 LEU 91 2HD1 LEU 91 5.393 -7.274 -2.854 700 HD13 LEU 91 3HD1 LEU 91 3.677 -6.939 -2.627 701 HD21 LEU 91 1HD2 LEU 91 4.420 -4.395 -3.972 702 HD22 LEU 91 2HD2 LEU 91 5.771 -5.523 -4.090 703 HD23 LEU 91 3HD2 LEU 91 6.013 -3.929 -3.373 704 H LEU 92 H LEU 92 5.490 -1.465 -2.661 705 HA LEU 92 HA LEU 92 3.787 -1.297 -5.060 706 HB2 LEU 92 1HB LEU 92 4.070 0.785 -3.626 707 HB3 LEU 92 2HB LEU 92 5.746 0.802 -4.170 708 HG LEU 92 HG LEU 92 4.734 0.836 -6.548 709 HD11 LEU 92 1HD1 LEU 92 2.404 0.395 -5.480 710 HD12 LEU 92 2HD1 LEU 92 2.549 1.504 -6.842 711 HD13 LEU 92 3HD1 LEU 92 2.408 2.136 -5.202 712 HD21 LEU 92 1HD2 LEU 92 5.371 2.876 -4.647 713 HD22 LEU 92 2HD2 LEU 92 4.072 3.438 -5.700 714 HD23 LEU 92 3HD2 LEU 92 5.593 2.876 -6.396 715 H LYS 93 H LYS 93 4.880 -1.040 -7.098 716 HA LYS 93 HA LYS 93 7.526 -2.325 -7.102 717 HB2 LYS 93 1HB LYS 93 5.732 -2.141 -9.503 718 HB3 LYS 93 2HB LYS 93 7.014 -3.299 -9.171 719 HG2 LYS 93 1HG LYS 93 5.682 -4.619 -7.883 720 HG3 LYS 93 2HG LYS 93 4.676 -3.271 -7.347 721 HD2 LYS 93 1HD LYS 93 3.231 -4.386 -8.754 722 HD3 LYS 93 2HD LYS 93 3.941 -3.202 -9.854 723 HE2 LYS 93 1HE LYS 93 5.213 -4.781 -10.945 724 HE3 LYS 93 2HE LYS 93 5.236 -5.872 -9.561 725 HZ1 LYS 93 1HZ LYS 93 3.049 -6.568 -10.004 726 HZ2 LYS 93 2HZ LYS 93 3.830 -6.576 -11.504 727 HZ3 LYS 93 3HZ LYS 93 2.773 -5.316 -11.109 728 H ARG 94 H ARG 94 9.239 -1.240 -7.836 729 HA ARG 94 HA ARG 94 8.758 1.303 -9.245 730 HB2 ARG 94 1HB ARG 94 9.754 1.575 -7.008 731 HB3 ARG 94 2HB ARG 94 11.092 0.537 -7.483 732 HG2 ARG 94 1HG ARG 94 11.817 2.804 -7.612 733 HG3 ARG 94 2HG ARG 94 11.660 2.184 -9.257 734 HD2 ARG 94 1HD ARG 94 9.324 3.207 -9.237 735 HD3 ARG 94 2HD ARG 94 9.835 4.061 -7.782 736 HE ARG 94 HE ARG 94 11.759 4.500 -9.753 737 HH11 ARG 94 2HH1 ARG 94 8.415 5.243 -9.130 738 HH12 ARG 94 1HH1 ARG 94 8.440 6.721 -10.034 739 HH21 ARG 94 2HH2 ARG 94 11.804 6.444 -10.946 740 HH22 ARG 94 1HH2 ARG 94 10.367 7.402 -11.067 741 H GLY 95 H GLY 95 10.446 1.966 -10.777 742 HA2 GLY 95 1HA GLY 95 12.321 1.405 -12.171 743 HA3 GLY 95 2HA GLY 95 11.950 -0.294 -11.917 744 H THR 96 H THR 96 9.019 0.929 -12.347 745 HA THR 96 HA THR 96 8.952 0.148 -15.142 746 HB THR 96 HB THR 96 7.135 -0.789 -14.070 747 HG1 THR 96 1HG THR 96 6.597 0.932 -15.832 748 HG21 THR 96 1HG2 THR 96 6.882 1.799 -12.543 749 HG22 THR 96 2HG2 THR 96 7.324 0.212 -11.913 750 HG23 THR 96 3HG2 THR 96 5.680 0.512 -12.477 751 H GLY 97 H GLY 97 8.396 3.028 -13.176 752 HA2 GLY 97 1HA GLY 97 8.146 5.237 -13.745 753 HA3 GLY 97 2HA GLY 97 9.126 4.846 -15.149 754 H SER 98 H SER 98 7.139 6.772 -15.252 755 HA SER 98 HA SER 98 5.627 5.881 -17.477 756 HB2 SER 98 1HB SER 98 3.367 6.116 -16.519 757 HB3 SER 98 2HB SER 98 4.261 4.808 -15.744 758 HG SER 98 HG SER 98 3.057 6.540 -14.434 759 H GLY 99 H GLY 99 5.260 7.592 -18.741 760 HA2 GLY 99 1HA GLY 99 5.203 10.257 -17.463 761 HA3 GLY 99 2HA GLY 99 6.064 9.947 -18.964 762 HA PRO 100 HA PRO 100 1.627 11.391 -19.727 763 HB2 PRO 100 1HB PRO 100 2.242 13.781 -20.856 764 HB3 PRO 100 2HB PRO 100 1.978 13.579 -19.120 765 HG2 PRO 100 1HG PRO 100 4.553 13.724 -20.640 766 HG3 PRO 100 2HG PRO 100 4.117 14.490 -19.101 767 HD2 PRO 100 1HD PRO 100 5.608 12.234 -19.234 768 HD3 PRO 100 2HD PRO 100 4.495 12.565 -17.891 769 H SER 101 H SER 101 1.640 9.707 -21.290 770 HA SER 101 HA SER 101 2.769 10.414 -23.911 771 HB2 SER 101 1HB SER 101 2.428 7.993 -24.451 772 HB3 SER 101 2HB SER 101 3.545 8.269 -23.115 773 HG SER 101 HG SER 101 0.855 7.928 -22.480 774 H SER 102 H SER 102 1.189 11.743 -24.733 775 HA SER 102 HA SER 102 -1.454 10.501 -25.139 776 HB2 SER 102 1HB SER 102 -2.506 12.611 -24.955 777 HB3 SER 102 2HB SER 102 -1.337 12.577 -23.635 778 HG SER 102 HG SER 102 -1.277 14.028 -26.035 779 H GLY 103 H GLY 103 -2.560 11.101 -27.129 780 HA2 GLY 103 1HA GLY 103 -1.485 12.530 -29.243 781 HA3 GLY 103 2HA GLY 103 -0.836 10.903 -29.384 Start of MODEL 9 1 H1 GLY 1 H GLY 1 12.646 -22.762 -24.801 2 HA2 GLY 1 1HA GLY 1 14.185 -25.170 -24.919 3 HA3 GLY 1 2HA GLY 1 15.207 -23.743 -25.008 4 H SER 2 H SER 2 15.866 -22.875 -23.153 5 HA SER 2 HA SER 2 14.708 -23.896 -20.671 6 HB2 SER 2 1HB SER 2 16.738 -22.852 -19.619 7 HB3 SER 2 2HB SER 2 17.105 -24.099 -20.811 8 HG SER 2 HG SER 2 17.170 -21.290 -21.223 9 H SER 3 H SER 3 13.420 -22.716 -19.424 10 HA SER 3 HA SER 3 13.291 -19.811 -19.908 11 HB2 SER 3 1HB SER 3 11.262 -21.430 -20.425 12 HB3 SER 3 2HB SER 3 10.992 -21.282 -18.688 13 HG SER 3 HG SER 3 11.440 -18.950 -20.162 14 H GLY 4 H GLY 4 12.344 -22.129 -17.360 15 HA2 GLY 4 1HA GLY 4 12.313 -21.819 -15.060 16 HA3 GLY 4 2HA GLY 4 14.023 -21.536 -15.350 17 H SER 5 H SER 5 10.913 -20.043 -14.802 18 HA SER 5 HA SER 5 12.310 -17.553 -14.094 19 HB2 SER 5 1HB SER 5 11.197 -17.213 -16.254 20 HB3 SER 5 2HB SER 5 9.667 -17.752 -15.561 21 HG SER 5 HG SER 5 10.459 -15.876 -13.970 22 H SER 6 H SER 6 11.598 -16.517 -12.274 23 HA SER 6 HA SER 6 9.244 -17.590 -10.897 24 HB2 SER 6 1HB SER 6 11.232 -18.774 -10.005 25 HB3 SER 6 2HB SER 6 11.939 -17.219 -9.566 26 HG SER 6 HG SER 6 10.185 -16.890 -8.158 27 H GLY 7 H GLY 7 7.957 -15.994 -10.265 28 HA2 GLY 7 1HA GLY 7 7.237 -13.937 -9.532 29 HA3 GLY 7 2HA GLY 7 8.873 -13.651 -8.956 30 H GLN 8 H GLN 8 6.799 -13.518 -11.814 31 HA GLN 8 HA GLN 8 8.716 -11.939 -13.289 32 HB2 GLN 8 1HB GLN 8 5.840 -12.619 -13.930 33 HB3 GLN 8 2HB GLN 8 6.987 -11.871 -15.034 34 HG2 GLN 8 1HG GLN 8 8.322 -13.841 -15.103 35 HG3 GLN 8 2HG GLN 8 7.392 -14.582 -13.802 36 HE21 GLN 8 1HE2 GLN 8 5.336 -15.387 -14.232 37 HE22 GLN 8 2HE2 GLN 8 4.790 -15.695 -15.842 38 H ASP 9 H ASP 9 8.974 -10.112 -11.955 39 HA ASP 9 HA ASP 9 6.905 -8.104 -12.347 40 HB2 ASP 9 1HB ASP 9 8.034 -8.258 -9.589 41 HB3 ASP 9 2HB ASP 9 6.482 -7.627 -10.134 42 H PHE 10 H PHE 10 7.837 -5.997 -11.053 43 HA PHE 10 HA PHE 10 10.418 -5.535 -12.328 44 HB2 PHE 10 1HB PHE 10 8.480 -3.614 -11.022 45 HB3 PHE 10 2HB PHE 10 9.968 -3.147 -11.839 46 HD1 PHE 10 1HD PHE 10 6.998 -5.291 -12.571 47 HD2 PHE 10 2HD PHE 10 9.702 -2.305 -13.946 48 HE1 PHE 10 1HE PHE 10 5.784 -5.181 -14.709 49 HE2 PHE 10 2HE PHE 10 8.491 -2.190 -16.085 50 HZ PHE 10 HZ PHE 10 6.530 -3.628 -16.469 51 H ASP 11 H ASP 11 8.909 -4.953 -9.153 52 HA ASP 11 HA ASP 11 11.120 -5.877 -7.680 53 HB2 ASP 11 1HB ASP 11 11.083 -2.980 -8.362 54 HB3 ASP 11 2HB ASP 11 11.534 -3.420 -6.716 55 H TYR 12 H TYR 12 9.843 -6.809 -6.201 56 HA TYR 12 HA TYR 12 7.490 -5.511 -5.173 57 HB2 TYR 12 1HB TYR 12 8.832 -8.151 -4.711 58 HB3 TYR 12 2HB TYR 12 7.596 -7.593 -3.588 59 HD1 TYR 12 1HD TYR 12 5.675 -6.287 -5.380 60 HD2 TYR 12 2HD TYR 12 7.858 -9.903 -5.889 61 HE1 TYR 12 1HE TYR 12 3.923 -7.125 -6.889 62 HE2 TYR 12 2HE TYR 12 6.113 -10.751 -7.400 63 HH TYR 12 HH TYR 12 3.229 -9.858 -7.563 64 H PHE 13 H PHE 13 8.524 -3.608 -4.300 65 HA PHE 13 HA PHE 13 9.986 -4.084 -1.792 66 HB2 PHE 13 1HB PHE 13 11.022 -1.996 -2.039 67 HB3 PHE 13 2HB PHE 13 10.973 -2.628 -3.681 68 HD1 PHE 13 1HD PHE 13 9.405 -1.709 -5.319 69 HD2 PHE 13 2HD PHE 13 9.752 -0.075 -1.404 70 HE1 PHE 13 1HE PHE 13 8.232 0.321 -6.066 71 HE2 PHE 13 2HE PHE 13 8.578 1.957 -2.144 72 HZ PHE 13 HZ PHE 13 7.816 2.156 -4.478 73 H THR 14 H THR 14 9.397 -2.958 0.095 74 HA THR 14 HA THR 14 6.554 -2.317 0.215 75 HB THR 14 HB THR 14 6.836 -2.372 2.660 76 HG1 THR 14 1HG THR 14 8.774 -2.402 3.543 77 HG21 THR 14 1HG2 THR 14 6.618 -4.606 2.678 78 HG22 THR 14 2HG2 THR 14 8.228 -4.856 2.001 79 HG23 THR 14 3HG2 THR 14 6.866 -4.510 0.935 80 H VAL 15 H VAL 15 5.840 -0.456 1.516 81 HA VAL 15 HA VAL 15 7.696 1.823 1.271 82 HB VAL 15 HB VAL 15 4.695 1.907 0.933 83 HG11 VAL 15 1HG1 VAL 15 5.686 3.954 1.879 84 HG12 VAL 15 2HG1 VAL 15 6.768 4.053 0.488 85 HG13 VAL 15 3HG1 VAL 15 5.026 4.211 0.264 86 HG21 VAL 15 1HG2 VAL 15 5.141 2.329 -1.426 87 HG22 VAL 15 2HG2 VAL 15 6.872 2.152 -1.143 88 HG23 VAL 15 3HG2 VAL 15 5.799 0.768 -0.936 89 H ASP 16 H ASP 16 7.615 3.418 2.873 90 HA ASP 16 HA ASP 16 5.971 2.836 5.234 91 HB2 ASP 16 1HB ASP 16 8.192 1.869 5.643 92 HB3 ASP 16 2HB ASP 16 8.938 3.426 5.296 93 H MET 17 H MET 17 4.810 4.571 5.703 94 HA MET 17 HA MET 17 6.044 7.195 5.729 95 HB2 MET 17 1HB MET 17 3.448 7.065 4.275 96 HB3 MET 17 2HB MET 17 4.766 8.218 4.116 97 HG2 MET 17 1HG MET 17 6.097 6.427 3.003 98 HG3 MET 17 2HG MET 17 4.650 5.421 3.023 99 HE1 MET 17 1HE MET 17 2.441 8.204 2.213 100 HE2 MET 17 2HE MET 17 2.181 7.206 0.783 101 HE3 MET 17 3HE MET 17 2.397 6.447 2.361 102 H GLU 18 H GLU 18 4.369 8.871 6.500 103 HA GLU 18 HA GLU 18 2.640 7.601 8.521 104 HB2 GLU 18 1HB GLU 18 4.572 9.849 8.706 105 HB3 GLU 18 2HB GLU 18 3.080 10.006 9.622 106 HG2 GLU 18 1HG GLU 18 3.579 8.243 11.006 107 HG3 GLU 18 2HG GLU 18 4.660 7.491 9.835 108 H LYS 19 H LYS 19 0.981 9.301 9.373 109 HA LYS 19 HA LYS 19 -0.523 10.177 7.053 110 HB2 LYS 19 1HB LYS 19 -1.532 8.929 9.014 111 HB3 LYS 19 2HB LYS 19 -1.323 10.400 9.955 112 HG2 LYS 19 1HG LYS 19 -2.960 11.530 8.809 113 HG3 LYS 19 2HG LYS 19 -2.792 10.528 7.366 114 HD2 LYS 19 1HD LYS 19 -3.855 9.466 9.974 115 HD3 LYS 19 2HD LYS 19 -4.895 10.180 8.738 116 HE2 LYS 19 1HE LYS 19 -3.703 8.489 7.155 117 HE3 LYS 19 2HE LYS 19 -3.302 7.650 8.652 118 HZ1 LYS 19 1HZ LYS 19 -5.449 7.076 9.017 119 HZ2 LYS 19 2HZ LYS 19 -5.517 7.169 7.329 120 HZ3 LYS 19 3HZ LYS 19 -6.082 8.456 8.271 121 H GLY 20 H GLY 20 -1.422 12.304 6.850 122 HA2 GLY 20 1HA GLY 20 0.269 14.361 8.129 123 HA3 GLY 20 2HA GLY 20 -0.377 14.494 6.500 124 H ALA 21 H ALA 21 -2.006 15.866 6.331 125 HA ALA 21 HA ALA 21 -3.514 16.624 8.699 126 HB1 ALA 21 1HB ALA 21 -4.061 18.556 7.612 127 HB2 ALA 21 2HB ALA 21 -2.554 18.162 6.782 128 HB3 ALA 21 3HB ALA 21 -4.102 17.784 6.026 129 H LYS 22 H LYS 22 -4.311 15.620 5.367 130 HA LYS 22 HA LYS 22 -6.841 14.525 6.409 131 HB2 LYS 22 1HB LYS 22 -6.181 15.718 3.717 132 HB3 LYS 22 2HB LYS 22 -7.644 14.788 4.015 133 HG2 LYS 22 1HG LYS 22 -8.109 16.450 5.895 134 HG3 LYS 22 2HG LYS 22 -6.852 17.444 5.155 135 HD2 LYS 22 1HD LYS 22 -9.162 16.372 3.563 136 HD3 LYS 22 2HD LYS 22 -9.280 17.884 4.466 137 HE2 LYS 22 1HE LYS 22 -7.072 17.356 2.496 138 HE3 LYS 22 2HE LYS 22 -8.623 18.038 2.007 139 HZ1 LYS 22 1HZ LYS 22 -7.744 19.996 2.524 140 HZ2 LYS 22 2HZ LYS 22 -6.418 19.302 3.311 141 HZ3 LYS 22 3HZ LYS 22 -7.866 19.548 4.150 142 H GLY 23 H GLY 23 -4.246 13.177 6.314 143 HA2 GLY 23 1HA GLY 23 -4.459 10.680 5.991 144 HA3 GLY 23 2HA GLY 23 -4.844 11.079 4.324 145 H PHE 24 H PHE 24 -2.998 9.572 3.972 146 HA PHE 24 HA PHE 24 -0.360 10.559 4.598 147 HB2 PHE 24 1HB PHE 24 -1.281 8.224 2.911 148 HB3 PHE 24 2HB PHE 24 0.403 8.586 3.274 149 HD1 PHE 24 2HD PHE 24 -2.849 7.807 4.885 150 HD2 PHE 24 1HD PHE 24 1.395 7.757 5.202 151 HE1 PHE 24 2HE PHE 24 -3.024 6.504 6.965 152 HE2 PHE 24 1HE PHE 24 1.227 6.453 7.283 153 HZ PHE 24 HZ PHE 24 -0.984 5.826 8.167 154 H GLY 25 H GLY 25 -1.834 12.424 3.117 155 HA2 GLY 25 1HA GLY 25 -1.926 13.523 1.054 156 HA3 GLY 25 2HA GLY 25 -0.195 13.530 1.356 157 H PHE 26 H PHE 26 -2.267 10.780 0.532 158 HA PHE 26 HA PHE 26 -1.192 10.681 -2.162 159 HB2 PHE 26 1HB PHE 26 0.054 8.762 -1.984 160 HB3 PHE 26 2HB PHE 26 0.322 9.427 -0.376 161 HD1 PHE 26 2HD PHE 26 -2.132 7.244 -2.148 162 HD2 PHE 26 1HD PHE 26 0.085 8.007 1.404 163 HE1 PHE 26 2HE PHE 26 -3.026 5.180 -1.151 164 HE2 PHE 26 1HE PHE 26 -0.804 5.943 2.407 165 HZ PHE 26 HZ PHE 26 -2.363 4.528 1.129 166 H SER 27 H SER 27 -2.545 9.698 -3.578 167 HA SER 27 HA SER 27 -4.953 8.429 -2.446 168 HB2 SER 27 1HB SER 27 -5.283 10.663 -3.588 169 HB3 SER 27 2HB SER 27 -4.797 9.882 -5.092 170 HG SER 27 HG SER 27 -6.818 8.699 -3.561 171 H ILE 28 H ILE 28 -5.982 6.797 -3.801 172 HA ILE 28 HA ILE 28 -4.034 5.373 -5.495 173 HB ILE 28 HB ILE 28 -5.668 3.372 -4.737 174 HG12 ILE 28 1HG1 ILE 28 -5.397 5.009 -2.220 175 HG13 ILE 28 2HG1 ILE 28 -6.847 5.068 -3.216 176 HG21 ILE 28 1HG2 ILE 28 -3.890 2.578 -3.443 177 HG22 ILE 28 2HG2 ILE 28 -3.129 3.662 -4.606 178 HG23 ILE 28 3HG2 ILE 28 -3.406 4.200 -2.950 179 HD11 ILE 28 1HD1 ILE 28 -6.883 2.518 -2.949 180 HD12 ILE 28 2HD1 ILE 28 -5.754 2.791 -1.621 181 HD13 ILE 28 3HD1 ILE 28 -7.360 3.517 -1.576 182 H ARG 29 H ARG 29 -5.109 3.804 -7.025 183 HA ARG 29 HA ARG 29 -7.767 4.640 -7.898 184 HB2 ARG 29 1HB ARG 29 -7.167 5.327 -10.015 185 HB3 ARG 29 2HB ARG 29 -5.801 5.917 -9.077 186 HG2 ARG 29 1HG ARG 29 -4.670 4.929 -10.773 187 HG3 ARG 29 2HG ARG 29 -4.824 3.535 -9.701 188 HD2 ARG 29 1HD ARG 29 -6.385 2.517 -11.023 189 HD3 ARG 29 2HD ARG 29 -7.010 4.044 -11.645 190 HE ARG 29 HE ARG 29 -4.833 2.483 -12.722 191 HH11 ARG 29 2HH1 ARG 29 -6.392 5.594 -12.605 192 HH12 ARG 29 1HH1 ARG 29 -5.735 6.126 -14.117 193 HH21 ARG 29 2HH2 ARG 29 -3.961 3.172 -14.714 194 HH22 ARG 29 1HH2 ARG 29 -4.353 4.747 -15.316 195 H GLY 30 H GLY 30 -8.611 3.195 -9.650 196 HA2 GLY 30 1HA GLY 30 -8.957 1.114 -10.589 197 HA3 GLY 30 2HA GLY 30 -7.338 0.662 -10.077 198 H GLY 31 H GLY 31 -8.366 -1.419 -9.599 199 HA2 GLY 31 1HA GLY 31 -8.496 -2.395 -7.246 200 HA3 GLY 31 2HA GLY 31 -9.912 -1.367 -7.087 201 H ARG 32 H ARG 32 -10.290 -3.959 -6.600 202 HA ARG 32 HA ARG 32 -10.836 -5.671 -8.718 203 HB2 ARG 32 1HB ARG 32 -11.787 -5.434 -5.909 204 HB3 ARG 32 2HB ARG 32 -12.706 -6.476 -6.988 205 HG2 ARG 32 1HG ARG 32 -9.740 -6.711 -6.533 206 HG3 ARG 32 2HG ARG 32 -10.961 -7.650 -5.671 207 HD2 ARG 32 1HD ARG 32 -10.395 -9.097 -7.368 208 HD3 ARG 32 2HD ARG 32 -11.775 -8.258 -8.075 209 HE ARG 32 HE ARG 32 -9.377 -6.921 -8.740 210 HH11 ARG 32 2HH1 ARG 32 -11.194 -9.798 -9.475 211 HH12 ARG 32 1HH1 ARG 32 -10.564 -9.943 -11.082 212 HH21 ARG 32 2HH2 ARG 32 -8.540 -7.101 -10.855 213 HH22 ARG 32 1HH2 ARG 32 -9.054 -8.409 -11.866 214 H GLU 33 H GLU 33 -12.664 -2.975 -7.477 215 HA GLU 33 HA GLU 33 -15.171 -3.557 -8.587 216 HB2 GLU 33 1HB GLU 33 -14.473 -1.691 -6.932 217 HB3 GLU 33 2HB GLU 33 -14.102 -0.757 -8.374 218 HG2 GLU 33 1HG GLU 33 -16.327 -0.258 -7.513 219 HG3 GLU 33 2HG GLU 33 -16.392 -0.955 -9.131 220 H TYR 34 H TYR 34 -12.317 -2.011 -9.952 221 HA TYR 34 HA TYR 34 -13.706 -1.717 -12.521 222 HB2 TYR 34 1HB TYR 34 -10.958 -0.655 -11.916 223 HB3 TYR 34 2HB TYR 34 -12.111 -0.098 -13.123 224 HD1 TYR 34 1HD TYR 34 -14.166 1.138 -12.365 225 HD2 TYR 34 2HD TYR 34 -10.941 0.253 -9.734 226 HE1 TYR 34 1HE TYR 34 -14.973 2.860 -10.805 227 HE2 TYR 34 2HE TYR 34 -11.740 1.972 -8.167 228 HH TYR 34 HH TYR 34 -13.185 3.644 -7.848 229 H LYS 35 H LYS 35 -12.435 -4.186 -11.202 230 HA LYS 35 HA LYS 35 -11.198 -6.004 -11.807 231 HB2 LYS 35 1HB LYS 35 -12.035 -4.983 -14.524 232 HB3 LYS 35 2HB LYS 35 -11.282 -6.550 -14.257 233 HG2 LYS 35 1HG LYS 35 -13.839 -5.709 -12.920 234 HG3 LYS 35 2HG LYS 35 -13.784 -6.556 -14.468 235 HD2 LYS 35 1HD LYS 35 -12.223 -8.196 -13.086 236 HD3 LYS 35 2HD LYS 35 -13.146 -7.534 -11.734 237 HE2 LYS 35 1HE LYS 35 -14.363 -9.418 -12.380 238 HE3 LYS 35 2HE LYS 35 -15.220 -8.078 -13.139 239 HZ1 LYS 35 1HZ LYS 35 -15.055 -9.429 -14.922 240 HZ2 LYS 35 2HZ LYS 35 -13.668 -10.218 -14.360 241 HZ3 LYS 35 3HZ LYS 35 -13.540 -8.693 -15.079 242 H MET 36 H MET 36 -9.571 -3.928 -11.147 243 HA MET 36 HA MET 36 -7.238 -4.498 -12.771 244 HB2 MET 36 1HB MET 36 -6.654 -2.141 -13.101 245 HB3 MET 36 2HB MET 36 -8.176 -2.535 -13.889 246 HG2 MET 36 1HG MET 36 -9.238 -1.654 -11.690 247 HG3 MET 36 2HG MET 36 -7.675 -0.871 -11.467 248 HE1 MET 36 1HE MET 36 -7.357 1.846 -13.715 249 HE2 MET 36 2HE MET 36 -8.225 2.070 -12.197 250 HE3 MET 36 3HE MET 36 -6.896 0.914 -12.290 251 H ASP 37 H ASP 37 -5.236 -3.638 -11.769 252 HA ASP 37 HA ASP 37 -5.249 -4.150 -8.963 253 HB2 ASP 37 1HB ASP 37 -2.922 -2.914 -10.402 254 HB3 ASP 37 2HB ASP 37 -2.917 -4.077 -9.079 255 H LEU 38 H LEU 38 -3.986 -2.610 -7.472 256 HA LEU 38 HA LEU 38 -5.286 -0.001 -7.653 257 HB2 LEU 38 1HB LEU 38 -3.821 -1.344 -5.387 258 HB3 LEU 38 2HB LEU 38 -4.579 0.244 -5.293 259 HG LEU 38 HG LEU 38 -6.271 -2.077 -6.072 260 HD11 LEU 38 1HD1 LEU 38 -6.077 -1.583 -3.182 261 HD12 LEU 38 2HD1 LEU 38 -4.692 -2.403 -3.903 262 HD13 LEU 38 3HD1 LEU 38 -6.308 -3.091 -4.068 263 HD21 LEU 38 1HD2 LEU 38 -7.043 -0.007 -4.097 264 HD22 LEU 38 2HD2 LEU 38 -7.988 -0.760 -5.382 265 HD23 LEU 38 3HD2 LEU 38 -6.824 0.508 -5.770 266 H TYR 39 H TYR 39 -4.223 1.763 -8.249 267 HA TYR 39 HA TYR 39 -1.284 1.774 -8.034 268 HB2 TYR 39 1HB TYR 39 -2.769 3.266 -10.183 269 HB3 TYR 39 2HB TYR 39 -1.068 2.813 -10.132 270 HD1 TYR 39 1HD TYR 39 -4.495 1.425 -10.479 271 HD2 TYR 39 2HD TYR 39 -0.332 0.804 -11.104 272 HE1 TYR 39 1HE TYR 39 -4.999 -0.589 -11.798 273 HE2 TYR 39 2HE TYR 39 -0.825 -1.211 -12.425 274 HH TYR 39 HH TYR 39 -2.801 -2.910 -12.521 275 H VAL 40 H VAL 40 -0.375 4.039 -8.102 276 HA VAL 40 HA VAL 40 -1.694 5.608 -6.086 277 HB VAL 40 HB VAL 40 0.826 6.223 -7.636 278 HG11 VAL 40 1HG1 VAL 40 0.976 7.424 -5.153 279 HG12 VAL 40 2HG1 VAL 40 0.625 8.231 -6.683 280 HG13 VAL 40 3HG1 VAL 40 -0.696 7.693 -5.644 281 HG21 VAL 40 1HG2 VAL 40 1.952 4.829 -6.312 282 HG22 VAL 40 2HG2 VAL 40 1.149 5.438 -4.864 283 HG23 VAL 40 3HG2 VAL 40 0.390 4.169 -5.826 284 H LEU 41 H LEU 41 -3.509 6.591 -6.846 285 HA LEU 41 HA LEU 41 -3.980 7.651 -9.346 286 HB2 LEU 41 1HB LEU 41 -5.614 7.357 -7.454 287 HB3 LEU 41 2HB LEU 41 -4.987 8.859 -6.779 288 HG LEU 41 HG LEU 41 -7.040 9.331 -7.912 289 HD11 LEU 41 1HD1 LEU 41 -4.877 10.777 -8.242 290 HD12 LEU 41 2HD1 LEU 41 -6.357 11.148 -9.126 291 HD13 LEU 41 3HD1 LEU 41 -5.052 10.267 -9.921 292 HD21 LEU 41 1HD2 LEU 41 -7.109 8.936 -10.442 293 HD22 LEU 41 2HD2 LEU 41 -7.369 7.548 -9.385 294 HD23 LEU 41 3HD2 LEU 41 -5.804 7.783 -10.165 295 H ARG 42 H ARG 42 -3.040 9.559 -6.477 296 HA ARG 42 HA ARG 42 -1.244 11.166 -8.070 297 HB2 ARG 42 1HB ARG 42 -3.009 12.534 -8.623 298 HB3 ARG 42 2HB ARG 42 -3.895 12.166 -7.149 299 HG2 ARG 42 1HG ARG 42 -1.359 13.712 -6.957 300 HG3 ARG 42 2HG ARG 42 -2.822 14.520 -7.522 301 HD2 ARG 42 1HD ARG 42 -2.846 12.879 -5.017 302 HD3 ARG 42 2HD ARG 42 -2.266 14.543 -4.996 303 HE ARG 42 HE ARG 42 -4.824 14.297 -6.244 304 HH11 ARG 42 2HH1 ARG 42 -3.195 14.507 -3.174 305 HH12 ARG 42 1HH1 ARG 42 -4.566 15.167 -2.345 306 HH21 ARG 42 2HH2 ARG 42 -6.635 15.166 -5.164 307 HH22 ARG 42 1HH2 ARG 42 -6.522 15.541 -3.478 308 H LEU 43 H LEU 43 0.151 12.474 -6.810 309 HA LEU 43 HA LEU 43 0.213 11.698 -3.974 310 HB2 LEU 43 1HB LEU 43 2.292 12.209 -6.018 311 HB3 LEU 43 2HB LEU 43 2.657 12.709 -4.368 312 HG LEU 43 HG LEU 43 2.033 9.918 -5.325 313 HD11 LEU 43 1HD1 LEU 43 4.522 11.212 -4.226 314 HD12 LEU 43 2HD1 LEU 43 4.277 10.577 -5.853 315 HD13 LEU 43 3HD1 LEU 43 4.324 9.477 -4.475 316 HD21 LEU 43 1HD2 LEU 43 1.061 9.927 -3.227 317 HD22 LEU 43 2HD2 LEU 43 2.215 11.093 -2.580 318 HD23 LEU 43 3HD2 LEU 43 2.713 9.425 -2.869 319 H ALA 44 H ALA 44 0.526 13.232 -2.372 320 HA ALA 44 HA ALA 44 -0.360 15.904 -3.050 321 HB1 ALA 44 1HB ALA 44 -1.246 14.680 -1.081 322 HB2 ALA 44 2HB ALA 44 0.351 14.791 -0.340 323 HB3 ALA 44 3HB ALA 44 -0.567 16.258 -0.683 324 H GLU 45 H GLU 45 0.990 17.491 -3.545 325 HA GLU 45 HA GLU 45 3.786 17.290 -3.392 326 HB2 GLU 45 1HB GLU 45 3.837 19.611 -4.078 327 HB3 GLU 45 2HB GLU 45 2.582 18.765 -4.971 328 HG2 GLU 45 1HG GLU 45 0.893 19.686 -3.455 329 HG3 GLU 45 2HG GLU 45 2.158 20.556 -2.589 330 H ASP 46 H ASP 46 1.418 18.416 -1.123 331 HA ASP 46 HA ASP 46 3.566 19.339 0.668 332 HB2 ASP 46 1HB ASP 46 1.724 20.972 -0.016 333 HB3 ASP 46 2HB ASP 46 0.637 19.992 0.966 334 H GLY 47 H GLY 47 2.664 16.560 0.217 335 HA2 GLY 47 1HA GLY 47 1.589 15.963 2.902 336 HA3 GLY 47 2HA GLY 47 1.382 14.928 1.498 337 HA PRO 48 HA PRO 48 5.123 13.686 4.132 338 HB2 PRO 48 1HB PRO 48 4.110 11.370 5.122 339 HB3 PRO 48 2HB PRO 48 3.935 12.925 5.946 340 HG2 PRO 48 1HG PRO 48 1.975 11.467 4.215 341 HG3 PRO 48 2HG PRO 48 1.699 12.318 5.746 342 HD2 PRO 48 1HD PRO 48 1.110 13.416 3.342 343 HD3 PRO 48 2HD PRO 48 1.641 14.387 4.731 344 H ALA 49 H ALA 49 2.905 11.999 1.999 345 HA ALA 49 HA ALA 49 4.512 9.787 1.360 346 HB1 ALA 49 1HB ALA 49 2.660 11.045 -0.628 347 HB2 ALA 49 2HB ALA 49 3.003 9.338 -0.347 348 HB3 ALA 49 3HB ALA 49 2.033 10.244 0.813 349 H ILE 50 H ILE 50 3.883 12.568 -0.783 350 HA ILE 50 HA ILE 50 5.799 12.171 -2.659 351 HB ILE 50 HB ILE 50 4.099 14.143 -2.336 352 HG12 ILE 50 1HG1 ILE 50 6.677 14.907 -3.667 353 HG13 ILE 50 2HG1 ILE 50 5.745 13.544 -4.277 354 HG21 ILE 50 1HG2 ILE 50 5.649 14.917 -0.360 355 HG22 ILE 50 2HG2 ILE 50 6.546 15.699 -1.661 356 HG23 ILE 50 3HG2 ILE 50 4.848 16.096 -1.399 357 HD11 ILE 50 1HD1 ILE 50 5.225 16.424 -4.455 358 HD12 ILE 50 2HD1 ILE 50 4.772 15.111 -5.543 359 HD13 ILE 50 3HD1 ILE 50 3.818 15.424 -4.094 360 H ARG 51 H ARG 51 6.306 13.101 0.634 361 HA ARG 51 HA ARG 51 9.023 13.991 0.220 362 HB2 ARG 51 1HB ARG 51 7.441 13.448 2.738 363 HB3 ARG 51 2HB ARG 51 9.081 14.083 2.718 364 HG2 ARG 51 1HG ARG 51 8.380 16.095 1.670 365 HG3 ARG 51 2HG ARG 51 6.771 15.442 1.357 366 HD2 ARG 51 1HD ARG 51 6.304 15.374 3.734 367 HD3 ARG 51 2HD ARG 51 7.940 15.922 4.095 368 HE ARG 51 HE ARG 51 5.721 17.534 3.182 369 HH11 ARG 51 2HH1 ARG 51 9.171 17.296 3.589 370 HH12 ARG 51 1HH1 ARG 51 9.422 19.010 3.570 371 HH21 ARG 51 2HH2 ARG 51 6.039 19.792 3.155 372 HH22 ARG 51 1HH2 ARG 51 7.640 20.429 3.324 373 H ASN 52 H ASN 52 7.368 11.086 1.297 374 HA ASN 52 HA ASN 52 9.494 9.682 2.403 375 HB2 ASN 52 1HB ASN 52 7.622 8.454 2.743 376 HB3 ASN 52 2HB ASN 52 6.874 8.999 1.245 377 HD21 ASN 52 1HD2 ASN 52 6.442 7.376 -0.043 378 HD22 ASN 52 2HD2 ASN 52 7.419 5.972 -0.285 379 H GLY 53 H GLY 53 8.266 9.372 -0.939 380 HA2 GLY 53 1HA GLY 53 9.657 9.375 -2.866 381 HA3 GLY 53 2HA GLY 53 11.028 8.969 -1.844 382 H ARG 54 H ARG 54 10.269 6.774 -0.507 383 HA ARG 54 HA ARG 54 10.828 4.639 -1.990 384 HB2 ARG 54 1HB ARG 54 8.786 4.826 0.219 385 HB3 ARG 54 2HB ARG 54 9.266 3.290 -0.489 386 HG2 ARG 54 1HG ARG 54 11.629 3.850 0.125 387 HG3 ARG 54 2HG ARG 54 10.994 5.234 1.018 388 HD2 ARG 54 1HD ARG 54 9.824 3.849 2.526 389 HD3 ARG 54 2HD ARG 54 10.029 2.429 1.501 390 HE ARG 54 HE ARG 54 11.900 3.470 3.413 391 HH11 ARG 54 2HH1 ARG 54 11.539 1.597 0.500 392 HH12 ARG 54 1HH1 ARG 54 13.010 0.712 0.732 393 HH21 ARG 54 2HH2 ARG 54 13.839 2.311 3.728 394 HH22 ARG 54 1HH2 ARG 54 14.317 1.118 2.569 395 H MET 55 H MET 55 7.732 6.279 -1.989 396 HA MET 55 HA MET 55 6.897 4.566 -4.235 397 HB2 MET 55 1HB MET 55 4.651 4.545 -3.478 398 HB3 MET 55 2HB MET 55 5.637 4.148 -2.077 399 HG2 MET 55 1HG MET 55 5.348 6.298 -1.145 400 HG3 MET 55 2HG MET 55 4.663 6.930 -2.640 401 HE1 MET 55 1HE MET 55 1.918 7.501 -2.364 402 HE2 MET 55 2HE MET 55 2.561 6.424 -3.604 403 HE3 MET 55 3HE MET 55 1.107 5.974 -2.712 404 H ARG 56 H ARG 56 5.687 5.573 -5.881 405 HA ARG 56 HA ARG 56 5.470 8.492 -5.761 406 HB2 ARG 56 1HB ARG 56 7.160 6.901 -7.610 407 HB3 ARG 56 2HB ARG 56 6.261 8.238 -8.315 408 HG2 ARG 56 1HG ARG 56 8.270 9.223 -7.771 409 HG3 ARG 56 2HG ARG 56 7.270 9.619 -6.372 410 HD2 ARG 56 1HD ARG 56 8.412 8.215 -4.986 411 HD3 ARG 56 2HD ARG 56 8.816 7.090 -6.281 412 HE ARG 56 HE ARG 56 10.763 8.240 -6.618 413 HH11 ARG 56 2HH1 ARG 56 8.586 10.218 -4.756 414 HH12 ARG 56 1HH1 ARG 56 9.763 11.451 -4.446 415 HH21 ARG 56 2HH2 ARG 56 12.322 9.856 -6.217 416 HH22 ARG 56 1HH2 ARG 56 11.888 11.244 -5.278 417 H VAL 57 H VAL 57 4.506 9.117 -8.149 418 HA VAL 57 HA VAL 57 1.915 7.820 -8.160 419 HB VAL 57 HB VAL 57 2.932 10.145 -9.802 420 HG11 VAL 57 1HG1 VAL 57 0.146 10.231 -9.591 421 HG12 VAL 57 2HG1 VAL 57 1.099 9.868 -11.030 422 HG13 VAL 57 3HG1 VAL 57 0.537 8.559 -9.990 423 HG21 VAL 57 1HG2 VAL 57 1.548 11.500 -8.257 424 HG22 VAL 57 2HG2 VAL 57 1.267 10.054 -7.287 425 HG23 VAL 57 3HG2 VAL 57 2.899 10.699 -7.455 426 H GLY 58 H GLY 58 0.992 6.720 -9.873 427 HA2 GLY 58 1HA GLY 58 0.919 5.854 -12.074 428 HA3 GLY 58 2HA GLY 58 2.618 6.261 -12.264 429 H ASP 59 H ASP 59 3.199 5.017 -9.595 430 HA ASP 59 HA ASP 59 4.060 2.522 -10.471 431 HB2 ASP 59 1HB ASP 59 3.495 3.455 -7.649 432 HB3 ASP 59 2HB ASP 59 4.395 1.998 -8.062 433 H GLN 60 H GLN 60 3.412 0.426 -9.235 434 HA GLN 60 HA GLN 60 0.474 0.209 -9.248 435 HB2 GLN 60 1HB GLN 60 1.552 -0.815 -11.254 436 HB3 GLN 60 2HB GLN 60 2.420 -1.906 -10.182 437 HG2 GLN 60 1HG GLN 60 -0.540 -1.788 -9.976 438 HG3 GLN 60 2HG GLN 60 0.176 -2.611 -11.361 439 HE21 GLN 60 1HE2 GLN 60 -1.190 -3.280 -8.602 440 HE22 GLN 60 2HE2 GLN 60 -0.268 -4.641 -8.070 441 H ILE 61 H ILE 61 -0.267 -0.269 -7.299 442 HA ILE 61 HA ILE 61 1.469 -1.479 -5.314 443 HB ILE 61 HB ILE 61 -1.428 -0.746 -4.935 444 HG12 ILE 61 1HG1 ILE 61 0.765 1.130 -4.172 445 HG13 ILE 61 2HG1 ILE 61 0.258 1.086 -5.857 446 HG21 ILE 61 1HG2 ILE 61 -0.645 -2.017 -3.120 447 HG22 ILE 61 2HG2 ILE 61 0.910 -1.186 -3.103 448 HG23 ILE 61 3HG2 ILE 61 -0.547 -0.340 -2.583 449 HD11 ILE 61 1HD1 ILE 61 -0.851 2.822 -4.442 450 HD12 ILE 61 2HD1 ILE 61 -1.950 1.735 -5.292 451 HD13 ILE 61 3HD1 ILE 61 -1.643 1.509 -3.571 452 H ILE 62 H ILE 62 1.438 -3.547 -4.698 453 HA ILE 62 HA ILE 62 -0.648 -5.286 -5.830 454 HB ILE 62 HB ILE 62 1.187 -7.061 -5.027 455 HG12 ILE 62 1HG1 ILE 62 2.589 -4.992 -4.284 456 HG13 ILE 62 2HG1 ILE 62 3.390 -6.316 -5.123 457 HG21 ILE 62 1HG2 ILE 62 1.385 -5.519 -7.610 458 HG22 ILE 62 2HG2 ILE 62 1.945 -7.165 -7.320 459 HG23 ILE 62 3HG2 ILE 62 0.220 -6.802 -7.281 460 HD11 ILE 62 1HD1 ILE 62 3.851 -3.851 -5.804 461 HD12 ILE 62 2HD1 ILE 62 3.683 -5.096 -7.043 462 HD13 ILE 62 3HD1 ILE 62 2.335 -4.014 -6.691 463 H GLU 63 H GLU 63 0.714 -4.098 -2.906 464 HA GLU 63 HA GLU 63 -1.216 -5.673 -1.380 465 HB2 GLU 63 1HB GLU 63 1.223 -6.659 -1.408 466 HB3 GLU 63 2HB GLU 63 1.536 -5.375 -0.249 467 HG2 GLU 63 1HG GLU 63 -0.175 -6.240 1.224 468 HG3 GLU 63 2HG GLU 63 -0.590 -7.484 0.046 469 H ILE 64 H ILE 64 -1.624 -4.798 0.767 470 HA ILE 64 HA ILE 64 -0.654 -2.101 1.281 471 HB ILE 64 HB ILE 64 -3.575 -2.732 0.864 472 HG12 ILE 64 1HG1 ILE 64 -1.759 -0.680 -0.421 473 HG13 ILE 64 2HG1 ILE 64 -2.264 -2.194 -1.165 474 HG21 ILE 64 1HG2 ILE 64 -3.125 0.019 1.435 475 HG22 ILE 64 2HG2 ILE 64 -4.117 -1.144 2.313 476 HG23 ILE 64 3HG2 ILE 64 -2.414 -0.947 2.727 477 HD11 ILE 64 1HD1 ILE 64 -4.633 -0.967 -0.413 478 HD12 ILE 64 2HD1 ILE 64 -3.625 0.341 -1.034 479 HD13 ILE 64 3HD1 ILE 64 -3.957 -1.070 -2.039 480 H ASN 65 H ASN 65 -0.269 -1.849 3.380 481 HA ASN 65 HA ASN 65 -0.080 -2.384 5.594 482 HB2 ASN 65 1HB ASN 65 -2.989 -2.195 4.998 483 HB3 ASN 65 2HB ASN 65 -2.531 -2.836 6.573 484 HD21 ASN 65 1HD2 ASN 65 -3.801 -0.277 5.648 485 HD22 ASN 65 2HD2 ASN 65 -2.866 0.964 6.403 486 H GLY 66 H GLY 66 0.556 -4.560 4.043 487 HA2 GLY 66 1HA GLY 66 0.929 -6.817 4.262 488 HA3 GLY 66 2HA GLY 66 0.245 -6.691 5.876 489 H GLU 67 H GLU 67 -1.357 -5.952 2.814 490 HA GLU 67 HA GLU 67 -3.047 -8.327 3.157 491 HB2 GLU 67 1HB GLU 67 -4.038 -5.508 2.703 492 HB3 GLU 67 2HB GLU 67 -5.042 -6.946 2.584 493 HG2 GLU 67 1HG GLU 67 -3.520 -6.460 5.093 494 HG3 GLU 67 2HG GLU 67 -4.976 -5.519 4.775 495 H SER 68 H SER 68 -3.289 -9.441 1.334 496 HA SER 68 HA SER 68 -2.021 -8.668 -1.063 497 HB2 SER 68 1HB SER 68 -3.943 -10.882 -0.368 498 HB3 SER 68 2HB SER 68 -3.355 -10.657 -2.015 499 HG SER 68 HG SER 68 -2.146 -12.109 -0.473 500 H THR 69 H THR 69 -2.689 -7.018 -2.268 501 HA THR 69 HA THR 69 -5.475 -6.280 -2.426 502 HB THR 69 HB THR 69 -4.775 -4.388 -3.705 503 HG1 THR 69 1HG THR 69 -2.766 -4.256 -4.655 504 HG21 THR 69 1HG2 THR 69 -4.001 -3.464 -1.833 505 HG22 THR 69 2HG2 THR 69 -2.405 -4.137 -2.169 506 HG23 THR 69 3HG2 THR 69 -3.566 -5.056 -1.211 507 H ARG 70 H ARG 70 -5.366 -8.788 -3.366 508 HA ARG 70 HA ARG 70 -5.301 -8.601 -6.293 509 HB2 ARG 70 1HB ARG 70 -5.304 -11.038 -6.293 510 HB3 ARG 70 2HB ARG 70 -4.008 -10.427 -5.273 511 HG2 ARG 70 1HG ARG 70 -4.821 -12.056 -3.917 512 HG3 ARG 70 2HG ARG 70 -5.833 -10.711 -3.388 513 HD2 ARG 70 1HD ARG 70 -7.381 -12.401 -3.709 514 HD3 ARG 70 2HD ARG 70 -7.452 -11.525 -5.238 515 HE ARG 70 HE ARG 70 -6.292 -14.168 -4.791 516 HH11 ARG 70 2HH1 ARG 70 -6.992 -11.538 -6.962 517 HH12 ARG 70 1HH1 ARG 70 -6.736 -12.480 -8.393 518 HH21 ARG 70 2HH2 ARG 70 -5.952 -15.419 -6.668 519 HH22 ARG 70 1HH2 ARG 70 -6.145 -14.687 -8.225 520 H ASP 71 H ASP 71 -7.412 -9.207 -3.573 521 HA ASP 71 HA ASP 71 -9.699 -9.222 -5.427 522 HB2 ASP 71 1HB ASP 71 -9.079 -11.065 -3.164 523 HB3 ASP 71 2HB ASP 71 -10.763 -10.633 -3.446 524 H MET 72 H MET 72 -8.710 -6.897 -4.324 525 HA MET 72 HA MET 72 -10.761 -6.243 -2.312 526 HB2 MET 72 1HB MET 72 -8.108 -4.835 -2.592 527 HB3 MET 72 2HB MET 72 -9.277 -4.678 -1.287 528 HG2 MET 72 1HG MET 72 -8.811 -7.246 -0.999 529 HG3 MET 72 2HG MET 72 -7.309 -6.837 -1.826 530 HE1 MET 72 1HE MET 72 -6.707 -4.254 -1.277 531 HE2 MET 72 2HE MET 72 -7.176 -3.485 0.240 532 HE3 MET 72 3HE MET 72 -5.622 -4.310 0.113 533 H THR 73 H THR 73 -11.776 -4.216 -2.478 534 HA THR 73 HA THR 73 -11.726 -3.108 -5.190 535 HB THR 73 HB THR 73 -13.866 -1.976 -4.485 536 HG1 THR 73 1HG THR 73 -13.139 -2.657 -2.107 537 HG21 THR 73 1HG2 THR 73 -14.275 -3.830 -5.793 538 HG22 THR 73 2HG2 THR 73 -15.115 -4.278 -4.308 539 HG23 THR 73 3HG2 THR 73 -13.516 -4.936 -4.650 540 H HIS 74 H HIS 74 -11.587 -0.879 -5.573 541 HA HIS 74 HA HIS 74 -9.685 0.594 -4.398 542 HB2 HIS 74 1HB HIS 74 -11.201 1.184 -6.402 543 HB3 HIS 74 2HB HIS 74 -12.237 1.965 -5.212 544 HD1 HIS 74 1HD HIS 74 -11.518 4.086 -6.811 545 HD2 HIS 74 2HD HIS 74 -8.637 2.553 -4.240 546 HE1 HIS 74 1HE HIS 74 -9.777 5.889 -6.600 547 HE2 HIS 74 2HE HIS 74 -8.003 4.906 -5.107 548 H ALA 75 H ALA 75 -12.986 0.275 -3.223 549 HA ALA 75 HA ALA 75 -12.917 2.261 -1.243 550 HB1 ALA 75 1HB ALA 75 -15.053 1.575 -1.479 551 HB2 ALA 75 2HB ALA 75 -14.594 -0.091 -1.835 552 HB3 ALA 75 3HB ALA 75 -14.620 0.479 -0.166 553 H ARG 76 H ARG 76 -12.343 -1.248 -0.950 554 HA ARG 76 HA ARG 76 -11.750 -1.404 1.725 555 HB2 ARG 76 1HB ARG 76 -11.886 -3.414 0.458 556 HB3 ARG 76 2HB ARG 76 -10.588 -2.907 -0.615 557 HG2 ARG 76 1HG ARG 76 -9.904 -4.646 0.991 558 HG3 ARG 76 2HG ARG 76 -8.966 -3.159 1.140 559 HD2 ARG 76 1HD ARG 76 -9.855 -2.639 3.176 560 HD3 ARG 76 2HD ARG 76 -11.390 -3.434 2.829 561 HE ARG 76 HE ARG 76 -9.148 -5.226 3.121 562 HH11 ARG 76 2HH1 ARG 76 -11.744 -3.553 4.727 563 HH12 ARG 76 1HH1 ARG 76 -11.800 -4.653 6.065 564 HH21 ARG 76 2HH2 ARG 76 -9.212 -6.681 4.877 565 HH22 ARG 76 1HH2 ARG 76 -10.359 -6.431 6.149 566 H ALA 77 H ALA 77 -9.385 -0.881 -0.894 567 HA ALA 77 HA ALA 77 -7.113 -0.559 0.637 568 HB1 ALA 77 1HB ALA 77 -7.255 -0.660 -1.869 569 HB2 ALA 77 2HB ALA 77 -7.700 1.046 -1.841 570 HB3 ALA 77 3HB ALA 77 -6.127 0.535 -1.227 571 H ILE 78 H ILE 78 -9.468 1.922 -0.322 572 HA ILE 78 HA ILE 78 -8.160 4.103 0.879 573 HB ILE 78 HB ILE 78 -11.123 3.750 0.411 574 HG12 ILE 78 1HG1 ILE 78 -9.356 3.568 -1.542 575 HG13 ILE 78 2HG1 ILE 78 -10.841 4.488 -1.756 576 HG21 ILE 78 1HG2 ILE 78 -10.723 5.563 1.932 577 HG22 ILE 78 2HG2 ILE 78 -9.449 6.207 0.898 578 HG23 ILE 78 3HG2 ILE 78 -11.126 6.235 0.353 579 HD11 ILE 78 1HD1 ILE 78 -8.680 5.549 -2.554 580 HD12 ILE 78 2HD1 ILE 78 -9.731 6.535 -1.536 581 HD13 ILE 78 3HD1 ILE 78 -8.294 5.778 -0.849 582 H GLU 79 H GLU 79 -9.916 1.497 2.231 583 HA GLU 79 HA GLU 79 -10.469 2.921 4.717 584 HB2 GLU 79 1HB GLU 79 -12.278 1.580 4.431 585 HB3 GLU 79 2HB GLU 79 -11.389 0.410 3.466 586 HG2 GLU 79 1HG GLU 79 -10.773 -0.825 5.269 587 HG3 GLU 79 2HG GLU 79 -10.749 0.565 6.353 588 H LEU 80 H LEU 80 -8.334 0.484 3.402 589 HA LEU 80 HA LEU 80 -7.298 -0.476 5.852 590 HB2 LEU 80 1HB LEU 80 -6.118 -0.423 3.081 591 HB3 LEU 80 2HB LEU 80 -5.392 -1.267 4.447 592 HG LEU 80 HG LEU 80 -7.972 -1.906 3.033 593 HD11 LEU 80 1HD1 LEU 80 -5.517 -3.573 3.557 594 HD12 LEU 80 2HD1 LEU 80 -5.848 -2.718 2.051 595 HD13 LEU 80 3HD1 LEU 80 -6.917 -4.016 2.580 596 HD21 LEU 80 1HD2 LEU 80 -8.230 -3.725 4.684 597 HD22 LEU 80 2HD2 LEU 80 -8.401 -2.121 5.398 598 HD23 LEU 80 3HD2 LEU 80 -6.905 -3.031 5.620 599 H ILE 81 H ILE 81 -6.387 2.179 3.726 600 HA ILE 81 HA ILE 81 -3.927 2.823 4.917 601 HB ILE 81 HB ILE 81 -5.850 4.758 3.623 602 HG12 ILE 81 1HG1 ILE 81 -3.590 3.368 2.211 603 HG13 ILE 81 2HG1 ILE 81 -5.173 2.606 2.330 604 HG21 ILE 81 1HG2 ILE 81 -3.706 5.925 3.020 605 HG22 ILE 81 2HG2 ILE 81 -4.119 5.942 4.733 606 HG23 ILE 81 3HG2 ILE 81 -2.886 4.833 4.135 607 HD11 ILE 81 1HD1 ILE 81 -5.256 5.373 1.403 608 HD12 ILE 81 2HD1 ILE 81 -4.376 4.275 0.340 609 HD13 ILE 81 3HD1 ILE 81 -6.051 3.933 0.769 610 H LYS 82 H LYS 82 -7.229 3.666 5.754 611 HA LYS 82 HA LYS 82 -6.298 5.399 7.920 612 HB2 LYS 82 1HB LYS 82 -8.925 5.593 8.178 613 HB3 LYS 82 2HB LYS 82 -8.055 6.508 6.953 614 HG2 LYS 82 1HG LYS 82 -8.640 4.859 5.272 615 HG3 LYS 82 2HG LYS 82 -9.461 3.884 6.493 616 HD2 LYS 82 1HD LYS 82 -11.138 5.114 5.336 617 HD3 LYS 82 2HD LYS 82 -10.951 5.862 6.925 618 HE2 LYS 82 1HE LYS 82 -9.375 7.501 5.826 619 HE3 LYS 82 2HE LYS 82 -9.904 6.844 4.278 620 HZ1 LYS 82 1HZ LYS 82 -12.250 7.356 5.291 621 HZ2 LYS 82 2HZ LYS 82 -11.356 8.562 4.513 622 HZ3 LYS 82 3HZ LYS 82 -11.379 8.485 6.202 623 H SER 83 H SER 83 -7.310 2.207 7.363 624 HA SER 83 HA SER 83 -8.430 1.726 9.969 625 HB2 SER 83 1HB SER 83 -9.159 0.392 8.047 626 HB3 SER 83 2HB SER 83 -7.517 -0.213 7.828 627 HG SER 83 HG SER 83 -9.448 -1.093 9.490 628 H GLY 84 H GLY 84 -5.283 1.736 8.565 629 HA2 GLY 84 1HA GLY 84 -4.061 0.009 10.513 630 HA3 GLY 84 2HA GLY 84 -3.225 1.014 9.338 631 H GLY 85 H GLY 85 -3.988 3.529 9.942 632 HA2 GLY 85 1HA GLY 85 -4.322 4.643 12.286 633 HA3 GLY 85 2HA GLY 85 -2.767 3.881 12.585 634 H ARG 86 H ARG 86 -1.310 5.468 12.638 635 HA ARG 86 HA ARG 86 -1.525 7.715 10.800 636 HB2 ARG 86 1HB ARG 86 -0.066 7.153 13.316 637 HB3 ARG 86 2HB ARG 86 0.736 8.225 12.176 638 HG2 ARG 86 1HG ARG 86 -0.991 9.808 12.281 639 HG3 ARG 86 2HG ARG 86 -2.100 8.669 13.046 640 HD2 ARG 86 1HD ARG 86 0.444 9.308 14.444 641 HD3 ARG 86 2HD ARG 86 -0.826 10.531 14.433 642 HE ARG 86 HE ARG 86 -0.828 8.034 15.869 643 HH11 ARG 86 2HH1 ARG 86 -2.777 10.593 14.536 644 HH12 ARG 86 1HH1 ARG 86 -4.115 10.305 15.600 645 HH21 ARG 86 2HH2 ARG 86 -2.582 7.646 17.274 646 HH22 ARG 86 1HH2 ARG 86 -4.002 8.629 17.157 647 H ARG 87 H ARG 87 0.251 4.783 11.185 648 HA ARG 87 HA ARG 87 2.090 5.590 9.031 649 HB2 ARG 87 1HB ARG 87 2.435 3.346 11.028 650 HB3 ARG 87 2HB ARG 87 3.609 3.862 9.824 651 HG2 ARG 87 1HG ARG 87 3.985 5.918 10.945 652 HG3 ARG 87 2HG ARG 87 2.608 5.656 12.018 653 HD2 ARG 87 1HD ARG 87 4.600 5.176 13.247 654 HD3 ARG 87 2HD ARG 87 3.785 3.648 12.916 655 HE ARG 87 HE ARG 87 5.615 4.060 10.869 656 HH11 ARG 87 2HH1 ARG 87 5.644 3.573 14.316 657 HH12 ARG 87 1HH1 ARG 87 7.199 2.808 14.326 658 HH21 ARG 87 2HH2 ARG 87 7.663 3.055 10.869 659 HH22 ARG 87 1HH2 ARG 87 8.346 2.515 12.365 660 H VAL 88 H VAL 88 1.843 4.663 7.109 661 HA VAL 88 HA VAL 88 0.320 2.143 6.954 662 HB VAL 88 HB VAL 88 -0.941 4.059 6.036 663 HG11 VAL 88 1HG1 VAL 88 1.241 5.204 5.268 664 HG12 VAL 88 2HG1 VAL 88 1.057 4.227 3.810 665 HG13 VAL 88 3HG1 VAL 88 -0.202 5.375 4.269 666 HG21 VAL 88 1HG2 VAL 88 -0.023 2.103 3.930 667 HG22 VAL 88 2HG2 VAL 88 -1.264 1.791 5.144 668 HG23 VAL 88 3HG2 VAL 88 -1.526 3.027 3.913 669 H ARG 89 H ARG 89 1.132 0.514 5.731 670 HA ARG 89 HA ARG 89 3.566 1.049 4.169 671 HB2 ARG 89 1HB ARG 89 4.383 0.098 6.194 672 HB3 ARG 89 2HB ARG 89 3.123 -1.129 6.206 673 HG2 ARG 89 1HG ARG 89 4.265 -1.778 3.900 674 HG3 ARG 89 2HG ARG 89 5.656 -1.020 4.678 675 HD2 ARG 89 1HD ARG 89 5.940 -3.139 5.449 676 HD3 ARG 89 2HD ARG 89 4.857 -2.540 6.705 677 HE ARG 89 HE ARG 89 3.233 -3.583 4.739 678 HH11 ARG 89 2HH1 ARG 89 5.762 -4.753 6.825 679 HH12 ARG 89 1HH1 ARG 89 5.135 -6.367 6.898 680 HH21 ARG 89 2HH2 ARG 89 2.397 -5.704 4.827 681 HH22 ARG 89 1HH2 ARG 89 3.222 -6.907 5.760 682 H LEU 90 H LEU 90 3.119 0.581 2.125 683 HA LEU 90 HA LEU 90 1.507 -1.818 1.556 684 HB2 LEU 90 1HB LEU 90 1.100 -0.382 -0.660 685 HB3 LEU 90 2HB LEU 90 0.045 -0.306 0.750 686 HG LEU 90 HG LEU 90 2.300 1.616 0.651 687 HD11 LEU 90 1HD1 LEU 90 1.787 2.250 -1.440 688 HD12 LEU 90 2HD1 LEU 90 0.401 3.023 -0.671 689 HD13 LEU 90 3HD1 LEU 90 0.223 1.435 -1.417 690 HD21 LEU 90 1HD2 LEU 90 -0.242 2.753 1.202 691 HD22 LEU 90 2HD2 LEU 90 1.108 2.486 2.306 692 HD23 LEU 90 3HD2 LEU 90 -0.116 1.233 2.089 693 H LEU 91 H LEU 91 2.022 -2.955 -0.389 694 HA LEU 91 HA LEU 91 4.861 -2.815 -1.021 695 HB2 LEU 91 1HB LEU 91 3.475 -4.941 -0.468 696 HB3 LEU 91 2HB LEU 91 2.963 -4.834 -2.151 697 HG LEU 91 HG LEU 91 5.805 -5.145 -1.183 698 HD11 LEU 91 1HD1 LEU 91 4.859 -7.225 -0.845 699 HD12 LEU 91 2HD1 LEU 91 5.466 -7.354 -2.495 700 HD13 LEU 91 3HD1 LEU 91 3.751 -7.059 -2.208 701 HD21 LEU 91 1HD2 LEU 91 6.253 -5.556 -3.606 702 HD22 LEU 91 2HD2 LEU 91 5.807 -3.894 -3.218 703 HD23 LEU 91 3HD2 LEU 91 4.622 -4.978 -3.949 704 H LEU 92 H LEU 92 5.426 -1.467 -2.598 705 HA LEU 92 HA LEU 92 3.736 -1.355 -5.010 706 HB2 LEU 92 1HB LEU 92 3.905 0.739 -3.594 707 HB3 LEU 92 2HB LEU 92 5.599 0.815 -4.077 708 HG LEU 92 HG LEU 92 4.623 0.777 -6.496 709 HD11 LEU 92 1HD1 LEU 92 2.444 1.297 -6.823 710 HD12 LEU 92 2HD1 LEU 92 2.323 2.223 -5.327 711 HD13 LEU 92 3HD1 LEU 92 2.269 0.461 -5.280 712 HD21 LEU 92 1HD2 LEU 92 5.266 2.845 -4.622 713 HD22 LEU 92 2HD2 LEU 92 3.991 3.401 -5.706 714 HD23 LEU 92 3HD2 LEU 92 5.514 2.805 -6.368 715 H LYS 93 H LYS 93 4.850 -1.029 -7.037 716 HA LYS 93 HA LYS 93 7.532 -2.241 -7.014 717 HB2 LYS 93 1HB LYS 93 5.248 -2.351 -8.948 718 HB3 LYS 93 2HB LYS 93 6.888 -2.588 -9.538 719 HG2 LYS 93 1HG LYS 93 7.168 -4.559 -8.363 720 HG3 LYS 93 2HG LYS 93 5.891 -4.170 -7.208 721 HD2 LYS 93 1HD LYS 93 5.232 -5.946 -8.789 722 HD3 LYS 93 2HD LYS 93 4.200 -4.518 -8.905 723 HE2 LYS 93 1HE LYS 93 6.566 -4.628 -10.685 724 HE3 LYS 93 2HE LYS 93 5.244 -5.737 -11.042 725 HZ1 LYS 93 1HZ LYS 93 5.372 -3.190 -11.884 726 HZ2 LYS 93 2HZ LYS 93 4.414 -3.026 -10.500 727 HZ3 LYS 93 3HZ LYS 93 3.939 -4.077 -11.737 728 H ARG 94 H ARG 94 9.224 -1.095 -7.697 729 HA ARG 94 HA ARG 94 8.763 1.596 -8.714 730 HB2 ARG 94 1HB ARG 94 10.344 1.308 -6.867 731 HB3 ARG 94 2HB ARG 94 11.311 0.216 -7.849 732 HG2 ARG 94 1HG ARG 94 12.350 2.379 -7.796 733 HG3 ARG 94 2HG ARG 94 11.742 2.066 -9.423 734 HD2 ARG 94 1HD ARG 94 9.693 3.375 -8.803 735 HD3 ARG 94 2HD ARG 94 10.513 3.824 -7.308 736 HE ARG 94 HE ARG 94 11.045 4.835 -9.958 737 HH11 ARG 94 2HH1 ARG 94 12.257 4.414 -6.722 738 HH12 ARG 94 1HH1 ARG 94 13.398 5.712 -6.841 739 HH21 ARG 94 2HH2 ARG 94 12.543 6.547 -10.127 740 HH22 ARG 94 1HH2 ARG 94 13.559 6.925 -8.777 741 H GLY 95 H GLY 95 10.039 2.417 -10.530 742 HA2 GLY 95 1HA GLY 95 11.042 2.251 -12.615 743 HA3 GLY 95 2HA GLY 95 11.202 0.518 -12.366 744 H THR 96 H THR 96 8.450 -0.015 -11.841 745 HA THR 96 HA THR 96 7.520 -0.312 -14.508 746 HB THR 96 HB THR 96 6.740 -2.031 -13.196 747 HG1 THR 96 1HG THR 96 4.948 -0.582 -14.183 748 HG21 THR 96 1HG2 THR 96 7.384 -1.361 -11.034 749 HG22 THR 96 2HG2 THR 96 5.637 -1.579 -10.932 750 HG23 THR 96 3HG2 THR 96 6.317 0.042 -11.060 751 H GLY 97 H GLY 97 7.017 2.074 -12.038 752 HA2 GLY 97 1HA GLY 97 4.628 3.176 -13.219 753 HA3 GLY 97 2HA GLY 97 5.558 3.870 -11.899 754 H SER 98 H SER 98 5.713 5.942 -12.620 755 HA SER 98 HA SER 98 6.344 6.615 -15.316 756 HB2 SER 98 1HB SER 98 6.277 8.212 -12.756 757 HB3 SER 98 2HB SER 98 6.727 8.929 -14.303 758 HG SER 98 HG SER 98 4.251 7.868 -13.487 759 H GLY 99 H GLY 99 8.259 6.403 -16.252 760 HA2 GLY 99 1HA GLY 99 10.666 7.197 -14.815 761 HA3 GLY 99 2HA GLY 99 10.596 5.519 -15.330 762 HA PRO 100 HA PRO 100 12.646 7.304 -18.893 763 HB2 PRO 100 1HB PRO 100 13.311 4.917 -20.003 764 HB3 PRO 100 2HB PRO 100 14.213 5.639 -18.665 765 HG2 PRO 100 1HG PRO 100 12.120 3.499 -18.602 766 HG3 PRO 100 2HG PRO 100 13.655 3.589 -17.719 767 HD2 PRO 100 1HD PRO 100 11.279 4.211 -16.578 768 HD3 PRO 100 2HD PRO 100 12.796 5.011 -16.120 769 H SER 101 H SER 101 10.509 8.062 -19.617 770 HA SER 101 HA SER 101 9.242 6.249 -21.559 771 HB2 SER 101 1HB SER 101 8.166 8.621 -20.034 772 HB3 SER 101 2HB SER 101 7.319 7.922 -21.414 773 HG SER 101 HG SER 101 6.634 6.408 -20.144 774 H SER 102 H SER 102 10.222 9.634 -21.093 775 HA SER 102 HA SER 102 9.687 10.753 -23.497 776 HB2 SER 102 1HB SER 102 10.885 11.831 -21.547 777 HB3 SER 102 2HB SER 102 12.371 11.095 -22.147 778 HG SER 102 HG SER 102 12.499 12.732 -23.440 779 H GLY 103 H GLY 103 10.558 10.823 -25.546 780 HA2 GLY 103 1HA GLY 103 11.600 10.003 -27.419 781 HA3 GLY 103 2HA GLY 103 12.981 9.709 -26.372 Start of MODEL 10 1 H1 GLY 1 H GLY 1 16.462 -25.883 -0.360 2 HA2 GLY 1 1HA GLY 1 16.700 -24.306 -2.806 3 HA3 GLY 1 2HA GLY 1 15.292 -25.224 -2.292 4 H SER 2 H SER 2 17.137 -22.777 -0.509 5 HA SER 2 HA SER 2 15.049 -21.512 0.704 6 HB2 SER 2 1HB SER 2 17.321 -20.941 1.275 7 HB3 SER 2 2HB SER 2 17.615 -20.294 -0.339 8 HG SER 2 HG SER 2 15.502 -19.201 1.107 9 H SER 3 H SER 3 16.413 -20.700 -2.477 10 HA SER 3 HA SER 3 13.859 -19.410 -3.149 11 HB2 SER 3 1HB SER 3 15.568 -17.677 -2.603 12 HB3 SER 3 2HB SER 3 16.577 -18.310 -3.903 13 HG SER 3 HG SER 3 13.942 -17.644 -4.521 14 H GLY 4 H GLY 4 12.999 -20.597 -4.719 15 HA2 GLY 4 1HA GLY 4 14.418 -22.385 -6.362 16 HA3 GLY 4 2HA GLY 4 12.776 -21.825 -6.645 17 H SER 5 H SER 5 12.416 -20.046 -7.995 18 HA SER 5 HA SER 5 14.666 -19.466 -9.789 19 HB2 SER 5 1HB SER 5 11.708 -19.037 -10.267 20 HB3 SER 5 2HB SER 5 12.999 -18.866 -11.456 21 HG SER 5 HG SER 5 12.008 -21.212 -10.242 22 H SER 6 H SER 6 14.889 -17.290 -10.636 23 HA SER 6 HA SER 6 14.833 -15.338 -8.579 24 HB2 SER 6 1HB SER 6 16.507 -15.461 -10.470 25 HB3 SER 6 2HB SER 6 15.249 -14.824 -11.530 26 HG SER 6 HG SER 6 16.302 -13.052 -10.841 27 H GLY 7 H GLY 7 13.688 -13.351 -8.511 28 HA2 GLY 7 1HA GLY 7 10.942 -13.529 -8.918 29 HA3 GLY 7 2HA GLY 7 11.819 -12.028 -8.661 30 H GLN 8 H GLN 8 9.535 -12.882 -10.476 31 HA GLN 8 HA GLN 8 10.696 -12.330 -13.099 32 HB2 GLN 8 1HB GLN 8 8.106 -13.435 -12.126 33 HB3 GLN 8 2HB GLN 8 8.117 -12.612 -13.680 34 HG2 GLN 8 1HG GLN 8 9.803 -14.133 -14.511 35 HG3 GLN 8 2HG GLN 8 9.894 -14.924 -12.938 36 HE21 GLN 8 1HE2 GLN 8 8.655 -16.634 -12.614 37 HE22 GLN 8 2HE2 GLN 8 7.309 -17.106 -13.590 38 H ASP 9 H ASP 9 8.282 -11.014 -10.862 39 HA ASP 9 HA ASP 9 7.590 -8.783 -12.464 40 HB2 ASP 9 1HB ASP 9 7.400 -8.685 -9.479 41 HB3 ASP 9 2HB ASP 9 6.264 -8.098 -10.690 42 H PHE 10 H PHE 10 7.819 -6.517 -11.117 43 HA PHE 10 HA PHE 10 10.579 -5.838 -11.439 44 HB2 PHE 10 1HB PHE 10 8.229 -4.219 -10.436 45 HB3 PHE 10 2HB PHE 10 9.831 -3.559 -10.748 46 HD1 PHE 10 1HD PHE 10 6.993 -5.306 -12.375 47 HD2 PHE 10 2HD PHE 10 10.420 -2.833 -12.880 48 HE1 PHE 10 1HE PHE 10 6.374 -4.935 -14.727 49 HE2 PHE 10 2HE PHE 10 9.807 -2.458 -15.233 50 HZ PHE 10 HZ PHE 10 7.782 -3.509 -16.159 51 H ASP 11 H ASP 11 11.318 -4.118 -9.579 52 HA ASP 11 HA ASP 11 12.163 -5.701 -7.431 53 HB2 ASP 11 1HB ASP 11 12.164 -2.747 -7.960 54 HB3 ASP 11 2HB ASP 11 12.670 -3.362 -6.388 55 H TYR 12 H TYR 12 10.640 -6.651 -6.185 56 HA TYR 12 HA TYR 12 8.272 -5.309 -5.315 57 HB2 TYR 12 1HB TYR 12 9.519 -7.974 -4.842 58 HB3 TYR 12 2HB TYR 12 8.313 -7.415 -3.688 59 HD1 TYR 12 1HD TYR 12 6.399 -6.011 -5.400 60 HD2 TYR 12 2HD TYR 12 8.493 -9.653 -6.076 61 HE1 TYR 12 1HE TYR 12 4.606 -6.754 -6.911 62 HE2 TYR 12 2HE TYR 12 6.706 -10.406 -7.590 63 HH TYR 12 HH TYR 12 4.700 -9.959 -8.436 64 H PHE 13 H PHE 13 9.132 -3.423 -4.309 65 HA PHE 13 HA PHE 13 10.447 -3.895 -1.720 66 HB2 PHE 13 1HB PHE 13 11.287 -1.656 -1.826 67 HB3 PHE 13 2HB PHE 13 11.593 -2.400 -3.392 68 HD1 PHE 13 2HD PHE 13 9.187 -0.201 -1.611 69 HD2 PHE 13 1HD PHE 13 10.880 -1.362 -5.339 70 HE1 PHE 13 2HE PHE 13 8.018 1.659 -2.717 71 HE2 PHE 13 1HE PHE 13 9.714 0.497 -6.452 72 HZ PHE 13 HZ PHE 13 8.279 2.010 -5.141 73 H THR 14 H THR 14 9.665 -2.905 0.152 74 HA THR 14 HA THR 14 6.805 -2.348 0.089 75 HB THR 14 HB THR 14 7.050 -2.356 2.613 76 HG1 THR 14 1HG THR 14 9.621 -3.423 1.995 77 HG21 THR 14 1HG2 THR 14 6.192 -4.363 2.017 78 HG22 THR 14 2HG2 THR 14 7.796 -4.950 2.459 79 HG23 THR 14 3HG2 THR 14 7.409 -4.630 0.769 80 H VAL 15 H VAL 15 5.887 -0.519 1.178 81 HA VAL 15 HA VAL 15 7.672 1.824 1.156 82 HB VAL 15 HB VAL 15 4.687 1.707 0.702 83 HG11 VAL 15 1HG1 VAL 15 5.738 4.194 -0.077 84 HG12 VAL 15 2HG1 VAL 15 4.641 3.856 1.263 85 HG13 VAL 15 3HG1 VAL 15 6.385 3.864 1.530 86 HG21 VAL 15 1HG2 VAL 15 5.218 2.386 -1.578 87 HG22 VAL 15 2HG2 VAL 15 6.940 2.357 -1.199 88 HG23 VAL 15 3HG2 VAL 15 6.009 0.859 -1.181 89 H ASP 16 H ASP 16 7.623 3.280 2.841 90 HA ASP 16 HA ASP 16 5.889 2.651 5.125 91 HB2 ASP 16 1HB ASP 16 8.102 1.624 5.526 92 HB3 ASP 16 2HB ASP 16 8.857 3.202 5.325 93 H MET 17 H MET 17 4.777 4.392 5.687 94 HA MET 17 HA MET 17 6.057 6.979 5.857 95 HB2 MET 17 1HB MET 17 3.535 7.036 4.292 96 HB3 MET 17 2HB MET 17 4.935 8.095 4.207 97 HG2 MET 17 1HG MET 17 6.177 6.335 3.032 98 HG3 MET 17 2HG MET 17 4.745 5.310 3.085 99 HE1 MET 17 1HE MET 17 2.199 7.111 0.927 100 HE2 MET 17 2HE MET 17 2.459 6.412 2.525 101 HE3 MET 17 3HE MET 17 2.539 8.161 2.303 102 H GLU 18 H GLU 18 4.314 8.667 6.553 103 HA GLU 18 HA GLU 18 2.507 7.350 8.474 104 HB2 GLU 18 1HB GLU 18 4.431 9.583 8.790 105 HB3 GLU 18 2HB GLU 18 2.888 9.760 9.614 106 HG2 GLU 18 1HG GLU 18 3.298 8.049 11.058 107 HG3 GLU 18 2HG GLU 18 4.345 7.195 9.926 108 H LYS 19 H LYS 19 0.793 9.013 9.276 109 HA LYS 19 HA LYS 19 -0.537 10.017 6.881 110 HB2 LYS 19 1HB LYS 19 -1.542 8.549 8.861 111 HB3 LYS 19 2HB LYS 19 -1.821 10.135 9.568 112 HG2 LYS 19 1HG LYS 19 -3.384 10.712 8.011 113 HG3 LYS 19 2HG LYS 19 -2.682 9.680 6.762 114 HD2 LYS 19 1HD LYS 19 -4.576 8.489 7.267 115 HD3 LYS 19 2HD LYS 19 -3.432 7.756 8.394 116 HE2 LYS 19 1HE LYS 19 -4.275 9.017 10.211 117 HE3 LYS 19 2HE LYS 19 -5.186 10.083 9.142 118 HZ1 LYS 19 1HZ LYS 19 -6.759 8.447 8.726 119 HZ2 LYS 19 2HZ LYS 19 -6.445 8.259 10.377 120 HZ3 LYS 19 3HZ LYS 19 -5.761 7.190 9.259 121 H GLY 20 H GLY 20 -1.194 12.131 6.596 122 HA2 GLY 20 1HA GLY 20 0.213 14.083 8.276 123 HA3 GLY 20 2HA GLY 20 -0.414 14.376 6.661 124 H ALA 21 H ALA 21 -2.128 15.651 6.587 125 HA ALA 21 HA ALA 21 -3.714 16.047 9.006 126 HB1 ALA 21 1HB ALA 21 -3.191 17.627 6.553 127 HB2 ALA 21 2HB ALA 21 -4.746 17.855 7.354 128 HB3 ALA 21 3HB ALA 21 -3.247 18.136 8.240 129 H LYS 22 H LYS 22 -4.340 15.580 5.523 130 HA LYS 22 HA LYS 22 -6.942 14.405 6.232 131 HB2 LYS 22 1HB LYS 22 -5.956 15.928 3.857 132 HB3 LYS 22 2HB LYS 22 -7.263 14.771 3.638 133 HG2 LYS 22 1HG LYS 22 -8.455 16.674 4.036 134 HG3 LYS 22 2HG LYS 22 -8.309 16.046 5.679 135 HD2 LYS 22 1HD LYS 22 -6.716 17.619 6.276 136 HD3 LYS 22 2HD LYS 22 -6.240 17.920 4.603 137 HE2 LYS 22 1HE LYS 22 -7.463 19.821 5.414 138 HE3 LYS 22 2HE LYS 22 -8.451 18.979 4.221 139 HZ1 LYS 22 1HZ LYS 22 -9.832 19.542 6.050 140 HZ2 LYS 22 2HZ LYS 22 -8.744 18.895 7.171 141 HZ3 LYS 22 3HZ LYS 22 -9.583 17.870 6.119 142 H GLY 23 H GLY 23 -4.401 12.977 6.357 143 HA2 GLY 23 1HA GLY 23 -4.532 10.532 5.915 144 HA3 GLY 23 2HA GLY 23 -4.901 10.963 4.251 145 H PHE 24 H PHE 24 -3.026 9.429 3.975 146 HA PHE 24 HA PHE 24 -0.408 10.429 4.622 147 HB2 PHE 24 1HB PHE 24 -1.308 8.125 2.882 148 HB3 PHE 24 2HB PHE 24 0.375 8.488 3.250 149 HD1 PHE 24 2HD PHE 24 -2.874 7.698 4.871 150 HD2 PHE 24 1HD PHE 24 1.372 7.594 5.141 151 HE1 PHE 24 2HE PHE 24 -3.041 6.356 6.926 152 HE2 PHE 24 1HE PHE 24 1.213 6.251 7.196 153 HZ PHE 24 HZ PHE 24 -0.996 5.632 8.092 154 H GLY 25 H GLY 25 -1.820 12.346 3.187 155 HA2 GLY 25 1HA GLY 25 -1.888 13.503 1.155 156 HA3 GLY 25 2HA GLY 25 -0.157 13.465 1.457 157 H PHE 26 H PHE 26 -2.311 10.805 0.539 158 HA PHE 26 HA PHE 26 -1.253 10.756 -2.155 159 HB2 PHE 26 1HB PHE 26 -0.030 8.808 -2.053 160 HB3 PHE 26 2HB PHE 26 0.303 9.463 -0.453 161 HD1 PHE 26 2HD PHE 26 -2.233 7.307 -2.142 162 HD2 PHE 26 1HD PHE 26 0.125 8.033 1.326 163 HE1 PHE 26 2HE PHE 26 -3.103 5.243 -1.124 164 HE2 PHE 26 1HE PHE 26 -0.741 5.970 2.350 165 HZ PHE 26 HZ PHE 26 -2.358 4.573 1.126 166 H SER 27 H SER 27 -2.643 9.840 -3.573 167 HA SER 27 HA SER 27 -5.064 8.603 -2.438 168 HB2 SER 27 1HB SER 27 -4.627 10.540 -4.641 169 HB3 SER 27 2HB SER 27 -5.861 9.311 -4.916 170 HG SER 27 HG SER 27 -5.825 10.721 -2.489 171 H ILE 28 H ILE 28 -6.132 6.976 -3.798 172 HA ILE 28 HA ILE 28 -4.211 5.464 -5.443 173 HB ILE 28 HB ILE 28 -5.842 3.501 -4.545 174 HG12 ILE 28 1HG1 ILE 28 -5.386 5.219 -2.110 175 HG13 ILE 28 2HG1 ILE 28 -6.897 5.263 -3.012 176 HG21 ILE 28 1HG2 ILE 28 -4.005 2.744 -3.270 177 HG22 ILE 28 2HG2 ILE 28 -3.319 3.677 -4.599 178 HG23 ILE 28 3HG2 ILE 28 -3.428 4.386 -2.988 179 HD11 ILE 28 1HD1 ILE 28 -6.967 3.797 -1.032 180 HD12 ILE 28 2HD1 ILE 28 -7.300 2.945 -2.540 181 HD13 ILE 28 3HD1 ILE 28 -5.722 2.789 -1.770 182 H ARG 29 H ARG 29 -5.385 3.774 -6.817 183 HA ARG 29 HA ARG 29 -8.073 4.515 -7.618 184 HB2 ARG 29 1HB ARG 29 -7.576 5.081 -9.861 185 HB3 ARG 29 2HB ARG 29 -6.452 6.011 -8.878 186 HG2 ARG 29 1HG ARG 29 -4.634 4.819 -9.578 187 HG3 ARG 29 2HG ARG 29 -5.576 3.361 -9.899 188 HD2 ARG 29 1HD ARG 29 -5.034 4.121 -12.026 189 HD3 ARG 29 2HD ARG 29 -6.664 4.745 -11.780 190 HE ARG 29 HE ARG 29 -5.821 6.882 -11.785 191 HH11 ARG 29 2HH1 ARG 29 -3.209 4.593 -11.544 192 HH12 ARG 29 1HH1 ARG 29 -1.973 5.780 -11.797 193 HH21 ARG 29 2HH2 ARG 29 -4.202 8.454 -12.119 194 HH22 ARG 29 1HH2 ARG 29 -2.538 7.976 -12.124 195 H GLY 30 H GLY 30 -8.805 3.068 -9.492 196 HA2 GLY 30 1HA GLY 30 -9.061 0.974 -10.422 197 HA3 GLY 30 2HA GLY 30 -7.415 0.610 -9.925 198 H GLY 31 H GLY 31 -8.641 -1.521 -9.609 199 HA2 GLY 31 1HA GLY 31 -8.605 -2.697 -7.359 200 HA3 GLY 31 2HA GLY 31 -9.877 -1.564 -6.928 201 H ARG 32 H ARG 32 -10.457 -4.144 -6.611 202 HA ARG 32 HA ARG 32 -11.392 -5.670 -8.689 203 HB2 ARG 32 1HB ARG 32 -12.172 -5.360 -5.838 204 HB3 ARG 32 2HB ARG 32 -13.281 -6.238 -6.882 205 HG2 ARG 32 1HG ARG 32 -10.361 -6.911 -6.664 206 HG3 ARG 32 2HG ARG 32 -11.601 -7.631 -5.635 207 HD2 ARG 32 1HD ARG 32 -12.549 -8.805 -7.370 208 HD3 ARG 32 2HD ARG 32 -11.971 -7.673 -8.592 209 HE ARG 32 HE ARG 32 -9.856 -9.107 -7.291 210 HH11 ARG 32 2HH1 ARG 32 -12.225 -9.224 -9.840 211 HH12 ARG 32 1HH1 ARG 32 -11.336 -10.367 -10.791 212 HH21 ARG 32 2HH2 ARG 32 -8.676 -10.612 -8.534 213 HH22 ARG 32 1HH2 ARG 32 -9.318 -11.157 -10.047 214 H GLU 33 H GLU 33 -12.751 -2.749 -7.384 215 HA GLU 33 HA GLU 33 -15.373 -2.973 -8.360 216 HB2 GLU 33 1HB GLU 33 -14.215 -1.199 -6.782 217 HB3 GLU 33 2HB GLU 33 -14.009 -0.316 -8.289 218 HG2 GLU 33 1HG GLU 33 -16.531 -0.716 -8.614 219 HG3 GLU 33 2HG GLU 33 -16.536 -1.088 -6.891 220 H TYR 34 H TYR 34 -12.403 -1.818 -9.864 221 HA TYR 34 HA TYR 34 -13.867 -1.437 -12.387 222 HB2 TYR 34 1HB TYR 34 -11.062 -0.476 -11.890 223 HB3 TYR 34 2HB TYR 34 -12.239 0.115 -13.058 224 HD1 TYR 34 1HD TYR 34 -14.242 1.405 -12.208 225 HD2 TYR 34 2HD TYR 34 -10.893 0.490 -9.748 226 HE1 TYR 34 1HE TYR 34 -14.919 3.174 -10.639 227 HE2 TYR 34 2HE TYR 34 -11.561 2.256 -8.172 228 HH TYR 34 HH TYR 34 -13.589 3.482 -7.532 229 H LYS 35 H LYS 35 -12.535 -3.890 -10.991 230 HA LYS 35 HA LYS 35 -11.420 -5.775 -11.614 231 HB2 LYS 35 1HB LYS 35 -12.203 -4.824 -14.376 232 HB3 LYS 35 2HB LYS 35 -11.650 -6.446 -13.978 233 HG2 LYS 35 1HG LYS 35 -14.013 -5.330 -12.549 234 HG3 LYS 35 2HG LYS 35 -14.198 -5.918 -14.203 235 HD2 LYS 35 1HD LYS 35 -12.833 -7.603 -12.138 236 HD3 LYS 35 2HD LYS 35 -14.595 -7.546 -12.221 237 HE2 LYS 35 1HE LYS 35 -14.261 -8.050 -14.731 238 HE3 LYS 35 2HE LYS 35 -12.637 -8.546 -14.258 239 HZ1 LYS 35 1HZ LYS 35 -14.786 -9.648 -12.657 240 HZ2 LYS 35 2HZ LYS 35 -13.399 -10.396 -13.271 241 HZ3 LYS 35 3HZ LYS 35 -14.749 -10.174 -14.265 242 H MET 36 H MET 36 -9.689 -3.800 -11.019 243 HA MET 36 HA MET 36 -7.434 -4.456 -12.711 244 HB2 MET 36 1HB MET 36 -6.776 -2.108 -13.061 245 HB3 MET 36 2HB MET 36 -8.301 -2.490 -13.849 246 HG2 MET 36 1HG MET 36 -9.355 -1.555 -11.666 247 HG3 MET 36 2HG MET 36 -7.781 -0.791 -11.455 248 HE1 MET 36 1HE MET 36 -8.116 1.877 -11.935 249 HE2 MET 36 2HE MET 36 -6.821 0.971 -12.719 250 HE3 MET 36 3HE MET 36 -7.758 2.148 -13.641 251 H ASP 37 H ASP 37 -5.375 -3.581 -11.788 252 HA ASP 37 HA ASP 37 -5.278 -4.124 -8.997 253 HB2 ASP 37 1HB ASP 37 -3.121 -2.926 -10.746 254 HB3 ASP 37 2HB ASP 37 -2.892 -3.704 -9.183 255 H LEU 38 H LEU 38 -3.995 -2.586 -7.519 256 HA LEU 38 HA LEU 38 -5.343 0.007 -7.618 257 HB2 LEU 38 1HB LEU 38 -3.877 -1.422 -5.409 258 HB3 LEU 38 2HB LEU 38 -4.550 0.200 -5.256 259 HG LEU 38 HG LEU 38 -6.392 -1.978 -6.082 260 HD11 LEU 38 1HD1 LEU 38 -4.783 -2.589 -4.031 261 HD12 LEU 38 2HD1 LEU 38 -6.475 -3.078 -4.112 262 HD13 LEU 38 3HD1 LEU 38 -6.012 -1.660 -3.172 263 HD21 LEU 38 1HD2 LEU 38 -6.834 0.572 -5.677 264 HD22 LEU 38 2HD2 LEU 38 -6.893 0.081 -3.984 265 HD23 LEU 38 3HD2 LEU 38 -8.006 -0.636 -5.150 266 H TYR 39 H TYR 39 -4.302 1.769 -8.249 267 HA TYR 39 HA TYR 39 -1.367 1.839 -7.993 268 HB2 TYR 39 1HB TYR 39 -2.760 3.315 -10.195 269 HB3 TYR 39 2HB TYR 39 -1.103 2.726 -10.122 270 HD1 TYR 39 1HD TYR 39 -4.630 1.601 -10.448 271 HD2 TYR 39 2HD TYR 39 -0.528 0.662 -11.078 272 HE1 TYR 39 1HE TYR 39 -5.289 -0.388 -11.735 273 HE2 TYR 39 2HE TYR 39 -1.176 -1.329 -12.368 274 HH TYR 39 HH TYR 39 -4.595 -2.144 -12.896 275 H VAL 40 H VAL 40 -0.499 4.113 -8.084 276 HA VAL 40 HA VAL 40 -1.870 5.700 -6.128 277 HB VAL 40 HB VAL 40 0.627 6.336 -7.707 278 HG11 VAL 40 1HG1 VAL 40 0.642 8.328 -6.728 279 HG12 VAL 40 2HG1 VAL 40 -0.959 7.987 -6.070 280 HG13 VAL 40 3HG1 VAL 40 0.483 7.586 -5.137 281 HG21 VAL 40 1HG2 VAL 40 0.583 5.463 -4.848 282 HG22 VAL 40 2HG2 VAL 40 0.526 4.263 -6.139 283 HG23 VAL 40 3HG2 VAL 40 1.892 5.373 -6.026 284 H LEU 41 H LEU 41 -3.555 6.921 -6.667 285 HA LEU 41 HA LEU 41 -4.076 7.846 -9.294 286 HB2 LEU 41 1HB LEU 41 -5.765 7.400 -7.482 287 HB3 LEU 41 2HB LEU 41 -5.257 8.916 -6.740 288 HG LEU 41 HG LEU 41 -7.333 9.175 -8.001 289 HD11 LEU 41 1HD1 LEU 41 -5.097 10.579 -9.443 290 HD12 LEU 41 2HD1 LEU 41 -5.631 11.013 -7.820 291 HD13 LEU 41 3HD1 LEU 41 -6.746 11.147 -9.179 292 HD21 LEU 41 1HD2 LEU 41 -7.625 8.061 -9.897 293 HD22 LEU 41 2HD2 LEU 41 -5.923 7.599 -9.934 294 HD23 LEU 41 3HD2 LEU 41 -6.441 9.119 -10.665 295 H ARG 42 H ARG 42 -3.411 9.741 -6.342 296 HA ARG 42 HA ARG 42 -1.732 11.547 -7.895 297 HB2 ARG 42 1HB ARG 42 -3.513 12.928 -8.168 298 HB3 ARG 42 2HB ARG 42 -4.398 12.225 -6.820 299 HG2 ARG 42 1HG ARG 42 -2.006 13.894 -6.237 300 HG3 ARG 42 2HG ARG 42 -3.503 14.689 -6.730 301 HD2 ARG 42 1HD ARG 42 -3.442 12.644 -4.532 302 HD3 ARG 42 2HD ARG 42 -3.099 14.346 -4.225 303 HE ARG 42 HE ARG 42 -5.651 13.179 -4.598 304 HH11 ARG 42 2HH1 ARG 42 -3.808 16.042 -5.325 305 HH12 ARG 42 1HH1 ARG 42 -5.197 17.073 -5.408 306 HH21 ARG 42 2HH2 ARG 42 -7.488 14.527 -4.705 307 HH22 ARG 42 1HH2 ARG 42 -7.290 16.211 -5.054 308 H LEU 43 H LEU 43 -0.259 12.730 -6.654 309 HA LEU 43 HA LEU 43 -0.012 11.804 -3.871 310 HB2 LEU 43 1HB LEU 43 1.928 12.319 -6.035 311 HB3 LEU 43 2HB LEU 43 2.421 12.820 -4.419 312 HG LEU 43 HG LEU 43 1.680 10.031 -5.298 313 HD11 LEU 43 1HD1 LEU 43 3.962 9.492 -4.985 314 HD12 LEU 43 2HD1 LEU 43 4.304 11.054 -4.243 315 HD13 LEU 43 3HD1 LEU 43 3.926 10.959 -5.963 316 HD21 LEU 43 1HD2 LEU 43 2.293 11.173 -2.585 317 HD22 LEU 43 2HD2 LEU 43 2.479 9.459 -2.960 318 HD23 LEU 43 3HD2 LEU 43 0.893 10.223 -3.084 319 H ALA 44 H ALA 44 0.520 13.271 -2.238 320 HA ALA 44 HA ALA 44 -0.406 15.972 -2.720 321 HB1 ALA 44 1HB ALA 44 -0.158 16.219 -0.260 322 HB2 ALA 44 2HB ALA 44 -1.205 14.882 -0.738 323 HB3 ALA 44 3HB ALA 44 0.443 14.562 -0.196 324 H GLU 45 H GLU 45 0.923 17.530 -3.351 325 HA GLU 45 HA GLU 45 3.719 17.305 -3.434 326 HB2 GLU 45 1HB GLU 45 3.729 19.649 -4.075 327 HB3 GLU 45 2HB GLU 45 2.424 18.806 -4.897 328 HG2 GLU 45 1HG GLU 45 0.862 19.675 -3.166 329 HG3 GLU 45 2HG GLU 45 2.192 20.636 -2.523 330 H ASP 46 H ASP 46 1.568 18.387 -0.947 331 HA ASP 46 HA ASP 46 3.881 19.229 0.676 332 HB2 ASP 46 1HB ASP 46 2.077 20.964 0.108 333 HB3 ASP 46 2HB ASP 46 1.033 20.060 1.201 334 H GLY 47 H GLY 47 2.748 16.516 0.278 335 HA2 GLY 47 1HA GLY 47 1.812 15.974 3.025 336 HA3 GLY 47 2HA GLY 47 1.477 14.951 1.635 337 HA PRO 48 HA PRO 48 5.251 13.470 4.073 338 HB2 PRO 48 1HB PRO 48 4.168 11.164 5.010 339 HB3 PRO 48 2HB PRO 48 4.083 12.694 5.892 340 HG2 PRO 48 1HG PRO 48 2.015 11.383 4.170 341 HG3 PRO 48 2HG PRO 48 1.818 12.189 5.737 342 HD2 PRO 48 1HD PRO 48 1.211 13.398 3.392 343 HD3 PRO 48 2HD PRO 48 1.821 14.294 4.798 344 H ALA 49 H ALA 49 2.874 11.853 2.031 345 HA ALA 49 HA ALA 49 4.386 9.640 1.245 346 HB1 ALA 49 1HB ALA 49 1.973 9.923 0.804 347 HB2 ALA 49 2HB ALA 49 2.363 11.130 -0.422 348 HB3 ALA 49 3HB ALA 49 2.882 9.458 -0.635 349 H ILE 50 H ILE 50 3.777 12.493 -0.807 350 HA ILE 50 HA ILE 50 5.640 12.065 -2.744 351 HB ILE 50 HB ILE 50 3.970 14.048 -2.395 352 HG12 ILE 50 1HG1 ILE 50 6.550 14.799 -3.733 353 HG13 ILE 50 2HG1 ILE 50 5.589 13.462 -4.355 354 HG21 ILE 50 1HG2 ILE 50 5.290 14.874 -0.405 355 HG22 ILE 50 2HG2 ILE 50 6.516 15.408 -1.554 356 HG23 ILE 50 3HG2 ILE 50 4.889 16.085 -1.623 357 HD11 ILE 50 1HD1 ILE 50 5.153 16.340 -4.542 358 HD12 ILE 50 2HD1 ILE 50 4.581 15.030 -5.576 359 HD13 ILE 50 3HD1 ILE 50 3.717 15.421 -4.090 360 H ARG 51 H ARG 51 6.235 12.905 0.546 361 HA ARG 51 HA ARG 51 8.956 13.779 0.071 362 HB2 ARG 51 1HB ARG 51 7.406 13.289 2.618 363 HB3 ARG 51 2HB ARG 51 9.063 13.878 2.569 364 HG2 ARG 51 1HG ARG 51 8.429 15.922 1.622 365 HG3 ARG 51 2HG ARG 51 6.839 15.311 1.161 366 HD2 ARG 51 1HD ARG 51 6.638 16.776 3.077 367 HD3 ARG 51 2HD ARG 51 6.246 15.120 3.540 368 HE ARG 51 HE ARG 51 8.060 15.114 4.941 369 HH11 ARG 51 2HH1 ARG 51 8.289 17.827 2.770 370 HH12 ARG 51 1HH1 ARG 51 9.633 18.541 3.596 371 HH21 ARG 51 2HH2 ARG 51 9.831 16.045 6.037 372 HH22 ARG 51 1HH2 ARG 51 10.511 17.527 5.453 373 H ASN 52 H ASN 52 7.260 10.903 1.130 374 HA ASN 52 HA ASN 52 9.360 9.457 2.241 375 HB2 ASN 52 1HB ASN 52 7.471 8.252 2.566 376 HB3 ASN 52 2HB ASN 52 6.731 8.829 1.076 377 HD21 ASN 52 1HD2 ASN 52 6.277 7.237 -0.243 378 HD22 ASN 52 2HD2 ASN 52 7.226 5.816 -0.499 379 H GLY 53 H GLY 53 8.141 9.196 -1.108 380 HA2 GLY 53 1HA GLY 53 9.568 9.215 -3.020 381 HA3 GLY 53 2HA GLY 53 10.901 8.712 -1.990 382 H ARG 54 H ARG 54 10.061 6.516 -0.741 383 HA ARG 54 HA ARG 54 10.500 4.416 -2.334 384 HB2 ARG 54 1HB ARG 54 8.520 4.553 -0.058 385 HB3 ARG 54 2HB ARG 54 9.031 3.046 -0.807 386 HG2 ARG 54 1HG ARG 54 11.013 4.974 0.351 387 HG3 ARG 54 2HG ARG 54 10.195 3.766 1.345 388 HD2 ARG 54 1HD ARG 54 11.020 2.020 -0.239 389 HD3 ARG 54 2HD ARG 54 11.965 3.272 -1.044 390 HE ARG 54 HE ARG 54 13.500 3.105 0.631 391 HH11 ARG 54 2HH1 ARG 54 10.469 1.828 1.774 392 HH12 ARG 54 1HH1 ARG 54 11.118 1.289 3.288 393 HH21 ARG 54 2HH2 ARG 54 14.365 2.400 2.621 394 HH22 ARG 54 1HH2 ARG 54 13.334 1.616 3.769 395 H MET 55 H MET 55 7.525 6.230 -2.202 396 HA MET 55 HA MET 55 6.467 4.555 -4.382 397 HB2 MET 55 1HB MET 55 4.319 4.599 -3.513 398 HB3 MET 55 2HB MET 55 5.295 4.456 -2.057 399 HG2 MET 55 1HG MET 55 5.083 6.836 -1.651 400 HG3 MET 55 2HG MET 55 4.167 7.025 -3.144 401 HE1 MET 55 1HE MET 55 1.548 7.679 -2.501 402 HE2 MET 55 2HE MET 55 1.955 6.362 -3.602 403 HE3 MET 55 3HE MET 55 0.690 6.142 -2.392 404 H ARG 56 H ARG 56 5.392 5.611 -6.058 405 HA ARG 56 HA ARG 56 5.371 8.541 -6.006 406 HB2 ARG 56 1HB ARG 56 6.897 6.788 -7.881 407 HB3 ARG 56 2HB ARG 56 6.182 8.266 -8.512 408 HG2 ARG 56 1HG ARG 56 8.297 8.958 -7.933 409 HG3 ARG 56 2HG ARG 56 7.366 9.395 -6.499 410 HD2 ARG 56 1HD ARG 56 9.070 8.323 -5.458 411 HD3 ARG 56 2HD ARG 56 8.066 6.916 -5.803 412 HE ARG 56 HE ARG 56 10.036 7.614 -7.818 413 HH11 ARG 56 2HH1 ARG 56 9.208 5.650 -5.065 414 HH12 ARG 56 1HH1 ARG 56 10.399 4.439 -5.407 415 HH21 ARG 56 2HH2 ARG 56 11.607 6.026 -8.279 416 HH22 ARG 56 1HH2 ARG 56 11.763 4.654 -7.235 417 H VAL 57 H VAL 57 4.407 9.244 -8.320 418 HA VAL 57 HA VAL 57 1.774 8.032 -8.379 419 HB VAL 57 HB VAL 57 2.882 10.409 -9.878 420 HG11 VAL 57 1HG1 VAL 57 0.935 9.094 -10.925 421 HG12 VAL 57 2HG1 VAL 57 -0.026 9.736 -9.591 422 HG13 VAL 57 3HG1 VAL 57 0.754 10.837 -10.728 423 HG21 VAL 57 1HG2 VAL 57 1.949 11.777 -8.266 424 HG22 VAL 57 2HG2 VAL 57 0.829 10.534 -7.708 425 HG23 VAL 57 3HG2 VAL 57 2.540 10.427 -7.297 426 H GLY 58 H GLY 58 1.221 6.465 -9.737 427 HA2 GLY 58 1HA GLY 58 0.975 5.828 -12.095 428 HA3 GLY 58 2HA GLY 58 2.660 6.279 -12.311 429 H ASP 59 H ASP 59 2.858 4.925 -9.452 430 HA ASP 59 HA ASP 59 3.867 2.448 -10.470 431 HB2 ASP 59 1HB ASP 59 3.558 3.542 -7.673 432 HB3 ASP 59 2HB ASP 59 4.243 1.954 -8.009 433 H GLN 60 H GLN 60 3.258 0.337 -9.427 434 HA GLN 60 HA GLN 60 0.326 0.170 -9.194 435 HB2 GLN 60 1HB GLN 60 1.405 -0.925 -11.198 436 HB3 GLN 60 2HB GLN 60 2.183 -2.038 -10.081 437 HG2 GLN 60 1HG GLN 60 -0.762 -1.736 -9.911 438 HG3 GLN 60 2HG GLN 60 -0.094 -2.614 -11.287 439 HE21 GLN 60 1HE2 GLN 60 -1.031 -2.792 -8.068 440 HE22 GLN 60 2HE2 GLN 60 -0.382 -4.349 -7.698 441 H ILE 61 H ILE 61 -0.338 -0.212 -7.195 442 HA ILE 61 HA ILE 61 1.438 -1.311 -5.206 443 HB ILE 61 HB ILE 61 -1.499 -0.716 -4.872 444 HG12 ILE 61 1HG1 ILE 61 0.598 1.246 -4.067 445 HG13 ILE 61 2HG1 ILE 61 0.156 1.165 -5.769 446 HG21 ILE 61 1HG2 ILE 61 0.568 -1.689 -3.146 447 HG22 ILE 61 2HG2 ILE 61 -0.004 -0.125 -2.567 448 HG23 ILE 61 3HG2 ILE 61 -1.146 -1.447 -2.807 449 HD11 ILE 61 1HD1 ILE 61 -1.863 1.521 -3.576 450 HD12 ILE 61 2HD1 ILE 61 -1.064 2.869 -4.385 451 HD13 ILE 61 3HD1 ILE 61 -2.079 1.762 -5.309 452 H ILE 62 H ILE 62 1.695 -3.403 -4.839 453 HA ILE 62 HA ILE 62 -0.308 -5.292 -5.824 454 HB ILE 62 HB ILE 62 1.627 -6.910 -4.926 455 HG12 ILE 62 1HG1 ILE 62 2.880 -4.788 -4.169 456 HG13 ILE 62 2HG1 ILE 62 3.789 -6.002 -5.062 457 HG21 ILE 62 1HG2 ILE 62 0.896 -5.732 -7.453 458 HG22 ILE 62 2HG2 ILE 62 2.616 -6.113 -7.406 459 HG23 ILE 62 3HG2 ILE 62 1.425 -7.375 -7.091 460 HD11 ILE 62 1HD1 ILE 62 3.597 -3.290 -5.623 461 HD12 ILE 62 2HD1 ILE 62 4.296 -4.545 -6.647 462 HD13 ILE 62 3HD1 ILE 62 2.607 -4.081 -6.849 463 H GLU 63 H GLU 63 1.070 -4.073 -2.872 464 HA GLU 63 HA GLU 63 -0.817 -5.741 -1.359 465 HB2 GLU 63 1HB GLU 63 1.676 -6.485 -1.277 466 HB3 GLU 63 2HB GLU 63 1.886 -5.088 -0.231 467 HG2 GLU 63 1HG GLU 63 0.229 -5.976 1.313 468 HG3 GLU 63 2HG GLU 63 -0.022 -7.365 0.256 469 H ILE 64 H ILE 64 -1.486 -4.841 0.671 470 HA ILE 64 HA ILE 64 -0.833 -2.030 1.130 471 HB ILE 64 HB ILE 64 -3.646 -3.048 0.725 472 HG12 ILE 64 1HG1 ILE 64 -1.961 -0.996 -0.720 473 HG13 ILE 64 2HG1 ILE 64 -2.561 -2.520 -1.364 474 HG21 ILE 64 1HG2 ILE 64 -2.833 -0.269 1.544 475 HG22 ILE 64 2HG2 ILE 64 -4.462 -0.933 1.432 476 HG23 ILE 64 3HG2 ILE 64 -3.362 -1.503 2.687 477 HD11 ILE 64 1HD1 ILE 64 -4.867 -1.655 -1.116 478 HD12 ILE 64 2HD1 ILE 64 -4.188 -0.103 -0.623 479 HD13 ILE 64 3HD1 ILE 64 -3.875 -0.728 -2.242 480 H ASN 65 H ASN 65 -0.325 -1.820 3.198 481 HA ASN 65 HA ASN 65 -0.174 -2.186 5.440 482 HB2 ASN 65 1HB ASN 65 -3.077 -2.407 4.823 483 HB3 ASN 65 2HB ASN 65 -2.550 -2.927 6.421 484 HD21 ASN 65 1HD2 ASN 65 -4.262 -0.833 6.162 485 HD22 ASN 65 2HD2 ASN 65 -3.462 0.640 6.582 486 H GLY 66 H GLY 66 0.392 -4.424 3.642 487 HA2 GLY 66 1HA GLY 66 1.120 -6.590 3.961 488 HA3 GLY 66 2HA GLY 66 0.573 -6.479 5.628 489 H GLU 67 H GLU 67 -1.486 -5.908 2.843 490 HA GLU 67 HA GLU 67 -2.810 -8.489 3.316 491 HB2 GLU 67 1HB GLU 67 -4.155 -5.795 3.065 492 HB3 GLU 67 2HB GLU 67 -5.007 -7.332 2.997 493 HG2 GLU 67 1HG GLU 67 -3.274 -6.757 5.344 494 HG3 GLU 67 2HG GLU 67 -4.845 -5.967 5.225 495 H SER 68 H SER 68 -3.160 -9.612 1.516 496 HA SER 68 HA SER 68 -2.196 -8.911 -0.968 497 HB2 SER 68 1HB SER 68 -4.191 -10.936 -0.035 498 HB3 SER 68 2HB SER 68 -3.986 -10.681 -1.768 499 HG SER 68 HG SER 68 -2.605 -12.325 -0.783 500 H THR 69 H THR 69 -2.842 -7.594 -2.536 501 HA THR 69 HA THR 69 -5.518 -6.407 -2.347 502 HB THR 69 HB THR 69 -4.718 -4.557 -3.604 503 HG1 THR 69 1HG THR 69 -2.425 -4.688 -4.370 504 HG21 THR 69 1HG2 THR 69 -3.904 -3.989 -1.574 505 HG22 THR 69 2HG2 THR 69 -2.339 -4.253 -2.343 506 HG23 THR 69 3HG2 THR 69 -3.068 -5.527 -1.365 507 H ARG 70 H ARG 70 -5.672 -8.905 -3.314 508 HA ARG 70 HA ARG 70 -5.768 -8.660 -6.240 509 HB2 ARG 70 1HB ARG 70 -4.518 -10.581 -5.495 510 HB3 ARG 70 2HB ARG 70 -5.829 -11.080 -4.435 511 HG2 ARG 70 1HG ARG 70 -7.166 -11.773 -6.221 512 HG3 ARG 70 2HG ARG 70 -6.205 -10.879 -7.401 513 HD2 ARG 70 1HD ARG 70 -4.541 -12.457 -7.444 514 HD3 ARG 70 2HD ARG 70 -4.880 -13.014 -5.806 515 HE ARG 70 HE ARG 70 -6.050 -13.983 -8.243 516 HH11 ARG 70 2HH1 ARG 70 -6.490 -13.623 -4.808 517 HH12 ARG 70 1HH1 ARG 70 -7.603 -14.945 -4.681 518 HH21 ARG 70 2HH2 ARG 70 -7.513 -15.726 -8.088 519 HH22 ARG 70 1HH2 ARG 70 -8.183 -16.141 -6.546 520 H ASP 71 H ASP 71 -7.715 -9.481 -3.414 521 HA ASP 71 HA ASP 71 -10.122 -9.315 -5.108 522 HB2 ASP 71 1HB ASP 71 -11.247 -10.787 -3.544 523 HB3 ASP 71 2HB ASP 71 -9.750 -11.546 -4.079 524 H MET 72 H MET 72 -9.084 -6.957 -4.294 525 HA MET 72 HA MET 72 -10.964 -6.119 -2.190 526 HB2 MET 72 1HB MET 72 -8.289 -4.801 -2.588 527 HB3 MET 72 2HB MET 72 -9.379 -4.671 -1.213 528 HG2 MET 72 1HG MET 72 -8.906 -7.258 -1.038 529 HG3 MET 72 2HG MET 72 -7.442 -6.808 -1.909 530 HE1 MET 72 1HE MET 72 -5.811 -4.199 0.321 531 HE2 MET 72 2HE MET 72 -6.522 -4.391 -1.281 532 HE3 MET 72 3HE MET 72 -7.412 -3.542 -0.016 533 H THR 73 H THR 73 -11.895 -4.071 -2.431 534 HA THR 73 HA THR 73 -11.805 -3.047 -5.179 535 HB THR 73 HB THR 73 -13.925 -1.874 -4.583 536 HG1 THR 73 1HG THR 73 -13.216 -2.745 -2.108 537 HG21 THR 73 1HG2 THR 73 -15.323 -3.813 -4.725 538 HG22 THR 73 2HG2 THR 73 -14.064 -4.838 -4.036 539 HG23 THR 73 3HG2 THR 73 -13.855 -4.145 -5.644 540 H HIS 74 H HIS 74 -11.709 -0.790 -5.586 541 HA HIS 74 HA HIS 74 -9.741 0.650 -4.441 542 HB2 HIS 74 1HB HIS 74 -11.134 1.262 -6.476 543 HB3 HIS 74 2HB HIS 74 -12.291 1.979 -5.358 544 HD1 HIS 74 1HD HIS 74 -11.608 4.176 -6.827 545 HD2 HIS 74 2HD HIS 74 -8.761 2.706 -4.183 546 HE1 HIS 74 1HE HIS 74 -9.968 6.054 -6.493 547 HE2 HIS 74 2HE HIS 74 -8.209 5.112 -4.957 548 H ALA 75 H ALA 75 -13.063 0.445 -3.290 549 HA ALA 75 HA ALA 75 -12.941 2.462 -1.340 550 HB1 ALA 75 1HB ALA 75 -14.597 0.109 -0.712 551 HB2 ALA 75 2HB ALA 75 -15.029 1.817 -0.791 552 HB3 ALA 75 3HB ALA 75 -14.904 0.870 -2.273 553 H ARG 76 H ARG 76 -12.340 -1.035 -1.095 554 HA ARG 76 HA ARG 76 -11.856 -1.223 1.619 555 HB2 ARG 76 1HB ARG 76 -11.985 -3.213 0.294 556 HB3 ARG 76 2HB ARG 76 -10.614 -2.718 -0.689 557 HG2 ARG 76 1HG ARG 76 -10.086 -4.496 0.949 558 HG3 ARG 76 2HG ARG 76 -9.104 -3.042 1.139 559 HD2 ARG 76 1HD ARG 76 -10.084 -2.474 3.123 560 HD3 ARG 76 2HD ARG 76 -11.618 -3.238 2.708 561 HE ARG 76 HE ARG 76 -9.424 -5.068 3.129 562 HH11 ARG 76 2HH1 ARG 76 -12.092 -3.356 4.566 563 HH12 ARG 76 1HH1 ARG 76 -12.246 -4.451 5.900 564 HH21 ARG 76 2HH2 ARG 76 -9.616 -6.517 4.880 565 HH22 ARG 76 1HH2 ARG 76 -10.837 -6.248 6.078 566 H ALA 77 H ALA 77 -9.299 -0.988 -0.861 567 HA ALA 77 HA ALA 77 -7.137 -0.576 0.758 568 HB1 ALA 77 1HB ALA 77 -6.039 0.475 -1.108 569 HB2 ALA 77 2HB ALA 77 -7.057 -0.837 -1.703 570 HB3 ALA 77 3HB ALA 77 -7.590 0.836 -1.866 571 H ILE 78 H ILE 78 -9.538 1.797 -0.251 572 HA ILE 78 HA ILE 78 -8.217 4.090 0.726 573 HB ILE 78 HB ILE 78 -11.130 3.520 0.214 574 HG12 ILE 78 1HG1 ILE 78 -9.414 3.737 -1.673 575 HG13 ILE 78 2HG1 ILE 78 -10.838 4.767 -1.772 576 HG21 ILE 78 1HG2 ILE 78 -9.839 5.887 1.463 577 HG22 ILE 78 2HG2 ILE 78 -11.155 6.161 0.322 578 HG23 ILE 78 3HG2 ILE 78 -11.425 5.174 1.759 579 HD11 ILE 78 1HD1 ILE 78 -9.232 6.288 -2.266 580 HD12 ILE 78 2HD1 ILE 78 -9.247 6.458 -0.510 581 HD13 ILE 78 3HD1 ILE 78 -8.006 5.479 -1.291 582 H GLU 79 H GLU 79 -10.236 1.681 2.257 583 HA GLU 79 HA GLU 79 -10.454 3.213 4.714 584 HB2 GLU 79 1HB GLU 79 -12.106 1.779 5.315 585 HB3 GLU 79 2HB GLU 79 -12.136 1.447 3.589 586 HG2 GLU 79 1HG GLU 79 -10.501 -0.427 4.064 587 HG3 GLU 79 2HG GLU 79 -10.870 -0.179 5.770 588 H LEU 80 H LEU 80 -8.444 0.778 3.336 589 HA LEU 80 HA LEU 80 -7.450 -0.356 5.741 590 HB2 LEU 80 1HB LEU 80 -6.335 -0.232 2.949 591 HB3 LEU 80 2HB LEU 80 -5.552 -1.104 4.265 592 HG LEU 80 HG LEU 80 -8.243 -1.706 3.042 593 HD11 LEU 80 1HD1 LEU 80 -6.235 -2.367 1.738 594 HD12 LEU 80 2HD1 LEU 80 -7.220 -3.729 2.269 595 HD13 LEU 80 3HD1 LEU 80 -5.718 -3.347 3.109 596 HD21 LEU 80 1HD2 LEU 80 -8.329 -2.112 5.429 597 HD22 LEU 80 2HD2 LEU 80 -6.820 -3.023 5.353 598 HD23 LEU 80 3HD2 LEU 80 -8.267 -3.644 4.558 599 H ILE 81 H ILE 81 -6.349 2.281 3.655 600 HA ILE 81 HA ILE 81 -3.912 2.798 4.941 601 HB ILE 81 HB ILE 81 -5.683 4.839 3.594 602 HG12 ILE 81 1HG1 ILE 81 -3.461 3.327 2.249 603 HG13 ILE 81 2HG1 ILE 81 -5.089 2.660 2.310 604 HG21 ILE 81 1HG2 ILE 81 -3.873 5.841 4.839 605 HG22 ILE 81 2HG2 ILE 81 -2.711 4.749 4.087 606 HG23 ILE 81 3HG2 ILE 81 -3.538 5.963 3.112 607 HD11 ILE 81 1HD1 ILE 81 -5.865 4.090 0.769 608 HD12 ILE 81 2HD1 ILE 81 -4.907 5.439 1.382 609 HD13 ILE 81 3HD1 ILE 81 -4.162 4.233 0.333 610 H LYS 82 H LYS 82 -7.193 3.751 5.702 611 HA LYS 82 HA LYS 82 -6.256 5.460 7.886 612 HB2 LYS 82 1HB LYS 82 -8.915 5.684 8.061 613 HB3 LYS 82 2HB LYS 82 -7.955 6.649 6.947 614 HG2 LYS 82 1HG LYS 82 -8.442 5.045 5.156 615 HG3 LYS 82 2HG LYS 82 -9.436 4.113 6.278 616 HD2 LYS 82 1HD LYS 82 -10.939 5.459 5.049 617 HD3 LYS 82 2HD LYS 82 -10.782 6.234 6.627 618 HE2 LYS 82 1HE LYS 82 -10.677 7.692 4.494 619 HE3 LYS 82 2HE LYS 82 -9.512 7.980 5.785 620 HZ1 LYS 82 1HZ LYS 82 -7.805 7.110 4.566 621 HZ2 LYS 82 2HZ LYS 82 -8.737 7.775 3.321 622 HZ3 LYS 82 3HZ LYS 82 -8.806 6.114 3.633 623 H SER 83 H SER 83 -7.402 2.311 7.295 624 HA SER 83 HA SER 83 -8.662 1.828 9.806 625 HB2 SER 83 1HB SER 83 -9.225 0.396 7.962 626 HB3 SER 83 2HB SER 83 -7.534 -0.039 7.711 627 HG SER 83 HG SER 83 -8.763 -1.636 8.868 628 H GLY 84 H GLY 84 -5.387 1.460 8.565 629 HA2 GLY 84 1HA GLY 84 -4.363 0.002 10.777 630 HA3 GLY 84 2HA GLY 84 -3.412 0.895 9.599 631 H GLY 85 H GLY 85 -4.233 3.467 9.960 632 HA2 GLY 85 1HA GLY 85 -4.698 4.751 12.185 633 HA3 GLY 85 2HA GLY 85 -3.172 4.009 12.641 634 H ARG 86 H ARG 86 -1.657 5.531 12.630 635 HA ARG 86 HA ARG 86 -1.743 7.644 10.615 636 HB2 ARG 86 1HB ARG 86 -0.528 7.321 13.292 637 HB3 ARG 86 2HB ARG 86 0.406 8.263 12.137 638 HG2 ARG 86 1HG ARG 86 -1.299 9.865 11.905 639 HG3 ARG 86 2HG ARG 86 -2.488 8.827 12.694 640 HD2 ARG 86 1HD ARG 86 -1.355 9.058 14.808 641 HD3 ARG 86 2HD ARG 86 -0.045 9.961 14.048 642 HE ARG 86 HE ARG 86 -2.611 11.184 13.685 643 HH11 ARG 86 2HH1 ARG 86 0.091 10.839 15.853 644 HH12 ARG 86 1HH1 ARG 86 -0.195 12.346 16.658 645 HH21 ARG 86 2HH2 ARG 86 -2.998 13.171 14.737 646 HH22 ARG 86 1HH2 ARG 86 -1.952 13.671 16.023 647 H ARG 87 H ARG 87 -0.195 4.683 11.210 648 HA ARG 87 HA ARG 87 1.956 5.351 9.312 649 HB2 ARG 87 1HB ARG 87 1.893 3.103 11.333 650 HB3 ARG 87 2HB ARG 87 3.237 3.517 10.276 651 HG2 ARG 87 1HG ARG 87 3.661 5.526 11.438 652 HG3 ARG 87 2HG ARG 87 2.128 5.431 12.307 653 HD2 ARG 87 1HD ARG 87 2.891 3.822 13.754 654 HD3 ARG 87 2HD ARG 87 4.080 3.204 12.609 655 HE ARG 87 HE ARG 87 4.607 5.869 13.590 656 HH11 ARG 87 2HH1 ARG 87 5.115 2.455 14.043 657 HH12 ARG 87 1HH1 ARG 87 6.560 2.662 14.977 658 HH21 ARG 87 2HH2 ARG 87 6.507 6.154 14.818 659 HH22 ARG 87 1HH2 ARG 87 7.350 4.766 15.418 660 H VAL 88 H VAL 88 1.837 4.466 7.361 661 HA VAL 88 HA VAL 88 0.237 2.012 7.025 662 HB VAL 88 HB VAL 88 -0.868 4.022 6.059 663 HG11 VAL 88 1HG1 VAL 88 1.460 4.986 5.395 664 HG12 VAL 88 2HG1 VAL 88 1.210 4.061 3.913 665 HG13 VAL 88 3HG1 VAL 88 0.054 5.309 4.381 666 HG21 VAL 88 1HG2 VAL 88 -1.279 3.018 3.825 667 HG22 VAL 88 2HG2 VAL 88 0.050 1.898 4.125 668 HG23 VAL 88 3HG2 VAL 88 -1.386 1.856 5.148 669 H ARG 89 H ARG 89 0.981 0.475 5.558 670 HA ARG 89 HA ARG 89 3.569 0.949 4.279 671 HB2 ARG 89 1HB ARG 89 4.280 -0.056 6.303 672 HB3 ARG 89 2HB ARG 89 2.967 -1.226 6.273 673 HG2 ARG 89 1HG ARG 89 4.070 -2.083 4.109 674 HG3 ARG 89 2HG ARG 89 5.483 -1.178 4.657 675 HD2 ARG 89 1HD ARG 89 5.484 -2.429 6.750 676 HD3 ARG 89 2HD ARG 89 4.047 -3.311 6.235 677 HE ARG 89 HE ARG 89 5.810 -3.820 4.255 678 HH11 ARG 89 2HH1 ARG 89 5.990 -4.071 7.723 679 HH12 ARG 89 1HH1 ARG 89 7.111 -5.391 7.700 680 HH21 ARG 89 2HH2 ARG 89 7.287 -5.558 4.212 681 HH22 ARG 89 1HH2 ARG 89 7.849 -6.236 5.702 682 H LEU 90 H LEU 90 3.189 0.560 2.202 683 HA LEU 90 HA LEU 90 1.644 -1.845 1.493 684 HB2 LEU 90 1HB LEU 90 1.236 -0.322 -0.666 685 HB3 LEU 90 2HB LEU 90 0.146 -0.354 0.718 686 HG LEU 90 HG LEU 90 2.330 1.656 0.746 687 HD11 LEU 90 1HD1 LEU 90 0.003 2.711 -0.581 688 HD12 LEU 90 2HD1 LEU 90 0.730 1.411 -1.524 689 HD13 LEU 90 3HD1 LEU 90 1.702 2.803 -1.046 690 HD21 LEU 90 1HD2 LEU 90 -0.145 1.122 2.092 691 HD22 LEU 90 2HD2 LEU 90 -0.186 2.730 1.369 692 HD23 LEU 90 3HD2 LEU 90 1.110 2.298 2.485 693 H LEU 91 H LEU 91 2.324 -2.995 -0.328 694 HA LEU 91 HA LEU 91 5.137 -2.679 -0.946 695 HB2 LEU 91 1HB LEU 91 3.849 -4.875 -0.483 696 HB3 LEU 91 2HB LEU 91 3.333 -4.736 -2.162 697 HG LEU 91 HG LEU 91 6.175 -4.996 -1.180 698 HD11 LEU 91 1HD1 LEU 91 5.308 -7.123 -1.007 699 HD12 LEU 91 2HD1 LEU 91 5.911 -7.117 -2.663 700 HD13 LEU 91 3HD1 LEU 91 4.190 -6.894 -2.352 701 HD21 LEU 91 1HD2 LEU 91 6.705 -5.207 -3.598 702 HD22 LEU 91 2HD2 LEU 91 6.145 -3.600 -3.134 703 HD23 LEU 91 3HD2 LEU 91 5.053 -4.709 -3.964 704 H LEU 92 H LEU 92 5.859 -1.557 -2.620 705 HA LEU 92 HA LEU 92 4.181 -1.365 -5.029 706 HB2 LEU 92 1HB LEU 92 4.291 0.712 -3.474 707 HB3 LEU 92 2HB LEU 92 5.907 0.914 -4.149 708 HG LEU 92 HG LEU 92 4.696 0.836 -6.439 709 HD11 LEU 92 1HD1 LEU 92 2.471 0.800 -4.566 710 HD12 LEU 92 2HD1 LEU 92 2.505 0.455 -6.294 711 HD13 LEU 92 3HD1 LEU 92 2.371 2.120 -5.731 712 HD21 LEU 92 1HD2 LEU 92 3.866 3.363 -5.501 713 HD22 LEU 92 2HD2 LEU 92 5.351 2.953 -6.360 714 HD23 LEU 92 3HD2 LEU 92 5.316 2.927 -4.596 715 H LYS 93 H LYS 93 5.354 -0.952 -7.002 716 HA LYS 93 HA LYS 93 8.240 -1.415 -6.897 717 HB2 LYS 93 1HB LYS 93 8.222 -3.260 -8.358 718 HB3 LYS 93 2HB LYS 93 6.962 -3.609 -7.181 719 HG2 LYS 93 1HG LYS 93 5.355 -2.573 -8.894 720 HG3 LYS 93 2HG LYS 93 6.681 -2.773 -10.042 721 HD2 LYS 93 1HD LYS 93 6.762 -5.176 -9.481 722 HD3 LYS 93 2HD LYS 93 5.381 -4.951 -8.406 723 HE2 LYS 93 1HE LYS 93 5.441 -4.521 -11.390 724 HE3 LYS 93 2HE LYS 93 4.627 -5.825 -10.528 725 HZ1 LYS 93 1HZ LYS 93 3.867 -3.010 -10.788 726 HZ2 LYS 93 2HZ LYS 93 3.463 -3.809 -9.352 727 HZ3 LYS 93 3HZ LYS 93 2.900 -4.398 -10.835 728 H ARG 94 H ARG 94 9.306 -0.145 -8.275 729 HA ARG 94 HA ARG 94 7.796 1.542 -10.080 730 HB2 ARG 94 1HB ARG 94 9.780 2.235 -8.554 731 HB3 ARG 94 2HB ARG 94 10.787 1.557 -9.827 732 HG2 ARG 94 1HG ARG 94 8.695 3.514 -10.601 733 HG3 ARG 94 2HG ARG 94 10.136 4.110 -9.775 734 HD2 ARG 94 1HD ARG 94 11.385 2.635 -11.542 735 HD3 ARG 94 2HD ARG 94 9.877 2.795 -12.441 736 HE ARG 94 HE ARG 94 11.825 4.867 -11.916 737 HH11 ARG 94 2HH1 ARG 94 8.573 4.106 -12.900 738 HH12 ARG 94 1HH1 ARG 94 8.329 5.613 -13.720 739 HH21 ARG 94 2HH2 ARG 94 11.516 6.855 -12.992 740 HH22 ARG 94 1HH2 ARG 94 10.004 7.175 -13.772 741 H GLY 95 H GLY 95 7.923 1.565 -12.294 742 HA2 GLY 95 1HA GLY 95 8.759 -0.900 -13.539 743 HA3 GLY 95 2HA GLY 95 7.969 0.456 -14.331 744 H THR 96 H THR 96 11.082 -0.322 -12.777 745 HA THR 96 HA THR 96 12.416 1.351 -14.792 746 HB THR 96 HB THR 96 12.995 2.031 -12.568 747 HG1 THR 96 1HG THR 96 15.317 1.410 -12.609 748 HG21 THR 96 1HG2 THR 96 14.371 0.077 -11.292 749 HG22 THR 96 2HG2 THR 96 13.120 -0.874 -12.092 750 HG23 THR 96 3HG2 THR 96 12.670 0.436 -11.001 751 H GLY 97 H GLY 97 11.859 -1.882 -13.905 752 HA2 GLY 97 1HA GLY 97 12.524 -3.835 -14.933 753 HA3 GLY 97 2HA GLY 97 13.421 -2.862 -16.089 754 H SER 98 H SER 98 15.519 -1.987 -15.344 755 HA SER 98 HA SER 98 16.809 -3.845 -13.454 756 HB2 SER 98 1HB SER 98 18.899 -3.462 -14.799 757 HB3 SER 98 2HB SER 98 17.622 -4.307 -15.673 758 HG SER 98 HG SER 98 18.749 -1.857 -16.150 759 H GLY 99 H GLY 99 19.117 -2.797 -12.878 760 HA2 GLY 99 1HA GLY 99 18.590 -0.681 -11.132 761 HA3 GLY 99 2HA GLY 99 20.193 -1.194 -11.639 762 HA PRO 100 HA PRO 100 20.754 2.541 -13.855 763 HB2 PRO 100 1HB PRO 100 22.195 1.722 -16.005 764 HB3 PRO 100 2HB PRO 100 22.867 1.802 -14.372 765 HG2 PRO 100 1HG PRO 100 21.814 -0.564 -15.874 766 HG3 PRO 100 2HG PRO 100 23.268 -0.435 -14.867 767 HD2 PRO 100 1HD PRO 100 20.969 -1.550 -13.971 768 HD3 PRO 100 2HD PRO 100 22.081 -0.669 -12.904 769 H SER 101 H SER 101 19.038 3.493 -14.772 770 HA SER 101 HA SER 101 17.969 2.329 -17.261 771 HB2 SER 101 1HB SER 101 16.587 3.702 -14.973 772 HB3 SER 101 2HB SER 101 15.866 3.705 -16.582 773 HG SER 101 HG SER 101 16.063 1.678 -14.754 774 H SER 102 H SER 102 17.310 3.782 -18.909 775 HA SER 102 HA SER 102 17.629 5.551 -20.305 776 HB2 SER 102 1HB SER 102 16.246 6.614 -18.452 777 HB3 SER 102 2HB SER 102 17.759 7.261 -17.819 778 HG SER 102 HG SER 102 16.357 7.934 -20.132 779 H GLY 103 H GLY 103 19.922 4.156 -19.807 780 HA2 GLY 103 1HA GLY 103 21.997 6.177 -19.303 781 HA3 GLY 103 2HA GLY 103 22.240 4.437 -19.290 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.077 -18.218 1.102 2 HA2 GLY 1 1HA GLY 1 17.365 -16.601 0.267 3 HA3 GLY 1 2HA GLY 1 17.418 -18.016 1.307 4 H SER 2 H SER 2 15.926 -17.656 -1.888 5 HA SER 2 HA SER 2 17.977 -19.389 -3.045 6 HB2 SER 2 1HB SER 2 16.283 -20.878 -4.036 7 HB3 SER 2 2HB SER 2 16.215 -20.917 -2.274 8 HG SER 2 HG SER 2 14.451 -19.661 -4.085 9 H SER 3 H SER 3 18.050 -19.345 -5.349 10 HA SER 3 HA SER 3 17.396 -16.783 -6.434 11 HB2 SER 3 1HB SER 3 18.600 -19.271 -7.655 12 HB3 SER 3 2HB SER 3 18.348 -17.780 -8.561 13 HG SER 3 HG SER 3 20.050 -16.973 -7.640 14 H GLY 4 H GLY 4 15.994 -16.291 -8.143 15 HA2 GLY 4 1HA GLY 4 14.259 -16.671 -9.664 16 HA3 GLY 4 2HA GLY 4 14.190 -18.345 -9.132 17 H SER 5 H SER 5 13.724 -18.211 -6.495 18 HA SER 5 HA SER 5 11.020 -17.866 -6.245 19 HB2 SER 5 1HB SER 5 12.114 -19.058 -4.522 20 HB3 SER 5 2HB SER 5 13.216 -17.723 -4.183 21 HG SER 5 HG SER 5 10.485 -17.247 -3.890 22 H SER 6 H SER 6 9.632 -16.238 -5.782 23 HA SER 6 HA SER 6 8.878 -14.076 -5.906 24 HB2 SER 6 1HB SER 6 9.758 -12.651 -4.034 25 HB3 SER 6 2HB SER 6 9.225 -14.255 -3.528 26 HG SER 6 HG SER 6 11.550 -13.180 -3.077 27 H GLY 7 H GLY 7 10.832 -14.612 -7.874 28 HA2 GLY 7 1HA GLY 7 11.941 -11.904 -8.187 29 HA3 GLY 7 2HA GLY 7 12.984 -13.298 -8.433 30 H GLN 8 H GLN 8 9.706 -12.320 -9.452 31 HA GLN 8 HA GLN 8 10.478 -13.030 -12.205 32 HB2 GLN 8 1HB GLN 8 7.934 -13.530 -10.697 33 HB3 GLN 8 2HB GLN 8 7.913 -13.403 -12.451 34 HG2 GLN 8 1HG GLN 8 9.441 -15.254 -12.648 35 HG3 GLN 8 2HG GLN 8 9.613 -15.338 -10.896 36 HE21 GLN 8 1HE2 GLN 8 8.926 -17.502 -10.940 37 HE22 GLN 8 2HE2 GLN 8 7.260 -17.914 -11.140 38 H ASP 9 H ASP 9 8.258 -11.028 -10.277 39 HA ASP 9 HA ASP 9 7.805 -9.234 -12.500 40 HB2 ASP 9 1HB ASP 9 6.887 -9.159 -9.620 41 HB3 ASP 9 2HB ASP 9 6.427 -7.967 -10.833 42 H PHE 10 H PHE 10 7.802 -6.760 -11.629 43 HA PHE 10 HA PHE 10 10.451 -5.938 -11.672 44 HB2 PHE 10 1HB PHE 10 8.162 -4.366 -10.481 45 HB3 PHE 10 2HB PHE 10 9.643 -3.721 -11.181 46 HD1 PHE 10 1HD PHE 10 6.395 -5.253 -11.894 47 HD2 PHE 10 2HD PHE 10 9.930 -3.568 -13.562 48 HE1 PHE 10 1HE PHE 10 5.285 -5.103 -14.085 49 HE2 PHE 10 2HE PHE 10 8.826 -3.414 -15.755 50 HZ PHE 10 HZ PHE 10 6.500 -4.181 -16.019 51 H ASP 11 H ASP 11 11.181 -4.256 -9.826 52 HA ASP 11 HA ASP 11 12.066 -5.813 -7.681 53 HB2 ASP 11 1HB ASP 11 11.967 -2.844 -8.157 54 HB3 ASP 11 2HB ASP 11 12.571 -3.498 -6.637 55 H TYR 12 H TYR 12 11.010 -6.558 -5.976 56 HA TYR 12 HA TYR 12 8.447 -5.393 -5.238 57 HB2 TYR 12 1HB TYR 12 9.866 -7.955 -4.605 58 HB3 TYR 12 2HB TYR 12 8.557 -7.408 -3.563 59 HD1 TYR 12 1HD TYR 12 6.621 -6.292 -5.406 60 HD2 TYR 12 2HD TYR 12 9.071 -9.743 -5.843 61 HE1 TYR 12 1HE TYR 12 4.976 -7.255 -6.960 62 HE2 TYR 12 2HE TYR 12 7.433 -10.715 -7.399 63 HH TYR 12 HH TYR 12 5.275 -10.542 -8.146 64 H PHE 13 H PHE 13 9.180 -3.436 -4.310 65 HA PHE 13 HA PHE 13 10.632 -3.726 -1.767 66 HB2 PHE 13 1HB PHE 13 11.410 -1.508 -2.004 67 HB3 PHE 13 2HB PHE 13 11.559 -2.214 -3.610 68 HD1 PHE 13 2HD PHE 13 9.358 -0.086 -1.515 69 HD2 PHE 13 1HD PHE 13 10.542 -1.210 -5.446 70 HE1 PHE 13 2HE PHE 13 8.012 1.752 -2.442 71 HE2 PHE 13 1HE PHE 13 9.198 0.628 -6.379 72 HZ PHE 13 HZ PHE 13 7.930 2.111 -4.877 73 H THR 14 H THR 14 9.849 -2.744 0.101 74 HA THR 14 HA THR 14 6.964 -2.309 0.102 75 HB THR 14 HB THR 14 7.217 -2.342 2.599 76 HG1 THR 14 1HG THR 14 9.521 -1.746 2.492 77 HG21 THR 14 1HG2 THR 14 6.529 -4.385 1.721 78 HG22 THR 14 2HG2 THR 14 7.976 -4.821 2.630 79 HG23 THR 14 3HG2 THR 14 8.055 -4.647 0.877 80 H VAL 15 H VAL 15 6.017 -0.518 1.256 81 HA VAL 15 HA VAL 15 7.717 1.889 1.172 82 HB VAL 15 HB VAL 15 4.722 1.700 0.814 83 HG11 VAL 15 1HG1 VAL 15 6.425 4.121 0.321 84 HG12 VAL 15 2HG1 VAL 15 4.673 4.018 0.506 85 HG13 VAL 15 3HG1 VAL 15 5.724 3.792 1.905 86 HG21 VAL 15 1HG2 VAL 15 6.504 0.954 -1.025 87 HG22 VAL 15 2HG2 VAL 15 5.001 1.779 -1.439 88 HG23 VAL 15 3HG2 VAL 15 6.507 2.691 -1.332 89 H ASP 16 H ASP 16 7.737 3.280 2.885 90 HA ASP 16 HA ASP 16 6.017 2.662 5.183 91 HB2 ASP 16 1HB ASP 16 8.226 1.592 5.534 92 HB3 ASP 16 2HB ASP 16 8.994 3.168 5.367 93 H MET 17 H MET 17 4.916 4.421 5.704 94 HA MET 17 HA MET 17 6.260 6.986 5.886 95 HB2 MET 17 1HB MET 17 3.692 7.091 4.402 96 HB3 MET 17 2HB MET 17 5.111 8.122 4.271 97 HG2 MET 17 1HG MET 17 6.275 6.301 3.077 98 HG3 MET 17 2HG MET 17 4.790 5.355 3.136 99 HE1 MET 17 1HE MET 17 2.578 6.509 2.609 100 HE2 MET 17 2HE MET 17 2.649 8.249 2.327 101 HE3 MET 17 3HE MET 17 2.326 7.150 0.985 102 H GLU 18 H GLU 18 4.645 8.692 6.709 103 HA GLU 18 HA GLU 18 2.752 7.413 8.570 104 HB2 GLU 18 1HB GLU 18 4.934 9.344 9.067 105 HB3 GLU 18 2HB GLU 18 3.418 9.682 9.890 106 HG2 GLU 18 1HG GLU 18 3.565 7.846 11.222 107 HG3 GLU 18 2HG GLU 18 4.475 6.917 10.032 108 H LYS 19 H LYS 19 1.259 9.211 9.546 109 HA LYS 19 HA LYS 19 -0.215 10.297 7.355 110 HB2 LYS 19 1HB LYS 19 -1.001 9.436 9.725 111 HB3 LYS 19 2HB LYS 19 -0.748 11.116 10.180 112 HG2 LYS 19 1HG LYS 19 -2.983 11.074 9.612 113 HG3 LYS 19 2HG LYS 19 -2.223 11.650 8.126 114 HD2 LYS 19 1HD LYS 19 -3.456 10.026 7.166 115 HD3 LYS 19 2HD LYS 19 -2.150 8.975 7.721 116 HE2 LYS 19 1HE LYS 19 -4.493 8.206 8.261 117 HE3 LYS 19 2HE LYS 19 -3.379 8.298 9.624 118 HZ1 LYS 19 1HZ LYS 19 -4.455 10.097 10.503 119 HZ2 LYS 19 2HZ LYS 19 -5.764 9.285 9.804 120 HZ3 LYS 19 3HZ LYS 19 -5.076 10.615 9.017 121 H GLY 20 H GLY 20 -0.881 12.569 7.192 122 HA2 GLY 20 1HA GLY 20 1.183 14.430 8.186 123 HA3 GLY 20 2HA GLY 20 0.683 14.449 6.501 124 H ALA 21 H ALA 21 0.141 16.690 6.854 125 HA ALA 21 HA ALA 21 -1.644 17.692 8.706 126 HB1 ALA 21 1HB ALA 21 -0.282 18.752 6.630 127 HB2 ALA 21 2HB ALA 21 -1.927 18.800 5.995 128 HB3 ALA 21 3HB ALA 21 -1.546 19.602 7.518 129 H LYS 22 H LYS 22 -2.434 16.594 5.403 130 HA LYS 22 HA LYS 22 -5.214 16.208 6.298 131 HB2 LYS 22 1HB LYS 22 -4.081 16.860 3.580 132 HB3 LYS 22 2HB LYS 22 -5.737 16.316 3.812 133 HG2 LYS 22 1HG LYS 22 -5.911 18.278 5.475 134 HG3 LYS 22 2HG LYS 22 -4.455 18.876 4.676 135 HD2 LYS 22 1HD LYS 22 -6.759 18.024 2.991 136 HD3 LYS 22 2HD LYS 22 -6.860 19.567 3.842 137 HE2 LYS 22 1HE LYS 22 -4.393 18.940 2.295 138 HE3 LYS 22 2HE LYS 22 -5.848 19.402 1.414 139 HZ1 LYS 22 1HZ LYS 22 -5.910 21.363 3.029 140 HZ2 LYS 22 2HZ LYS 22 -4.760 21.399 1.789 141 HZ3 LYS 22 3HZ LYS 22 -4.295 20.984 3.362 142 H GLY 23 H GLY 23 -2.961 14.323 6.582 143 HA2 GLY 23 1HA GLY 23 -3.492 11.926 6.624 144 HA3 GLY 23 2HA GLY 23 -4.097 12.112 4.985 145 H PHE 24 H PHE 24 -2.566 10.219 4.768 146 HA PHE 24 HA PHE 24 0.208 10.500 4.937 147 HB2 PHE 24 1HB PHE 24 -1.508 8.759 3.164 148 HB3 PHE 24 2HB PHE 24 0.247 8.633 3.222 149 HD1 PHE 24 1HD PHE 24 1.368 7.875 5.277 150 HD2 PHE 24 2HD PHE 24 -2.872 7.887 4.904 151 HE1 PHE 24 1HE PHE 24 1.197 6.360 7.208 152 HE2 PHE 24 2HE PHE 24 -3.050 6.373 6.836 153 HZ PHE 24 HZ PHE 24 -1.014 5.608 7.991 154 H GLY 25 H GLY 25 -2.030 11.807 2.689 155 HA2 GLY 25 1HA GLY 25 -1.669 13.375 1.029 156 HA3 GLY 25 2HA GLY 25 0.053 13.276 1.364 157 H PHE 26 H PHE 26 -2.128 10.645 0.453 158 HA PHE 26 HA PHE 26 -1.072 10.567 -2.242 159 HB2 PHE 26 1HB PHE 26 0.145 8.620 -2.121 160 HB3 PHE 26 2HB PHE 26 0.469 9.276 -0.520 161 HD1 PHE 26 2HD PHE 26 -2.051 7.120 -2.231 162 HD2 PHE 26 1HD PHE 26 0.257 7.859 1.268 163 HE1 PHE 26 2HE PHE 26 -2.939 5.062 -1.215 164 HE2 PHE 26 1HE PHE 26 -0.627 5.803 2.290 165 HZ PHE 26 HZ PHE 26 -2.228 4.402 1.048 166 H SER 27 H SER 27 -2.479 9.667 -3.650 167 HA SER 27 HA SER 27 -4.907 8.458 -2.504 168 HB2 SER 27 1HB SER 27 -5.244 10.605 -3.711 169 HB3 SER 27 2HB SER 27 -4.593 9.859 -5.171 170 HG SER 27 HG SER 27 -6.484 9.034 -5.510 171 H ILE 28 H ILE 28 -6.064 7.010 -4.180 172 HA ILE 28 HA ILE 28 -4.129 5.397 -5.686 173 HB ILE 28 HB ILE 28 -5.746 3.435 -4.805 174 HG12 ILE 28 1HG1 ILE 28 -5.354 5.036 -2.300 175 HG13 ILE 28 2HG1 ILE 28 -6.787 5.299 -3.289 176 HG21 ILE 28 1HG2 ILE 28 -3.941 2.704 -3.470 177 HG22 ILE 28 2HG2 ILE 28 -3.227 3.643 -4.781 178 HG23 ILE 28 3HG2 ILE 28 -3.393 4.355 -3.176 179 HD11 ILE 28 1HD1 ILE 28 -7.215 2.824 -3.104 180 HD12 ILE 28 2HD1 ILE 28 -5.945 2.788 -1.880 181 HD13 ILE 28 3HD1 ILE 28 -7.395 3.758 -1.619 182 H ARG 29 H ARG 29 -5.326 3.721 -7.061 183 HA ARG 29 HA ARG 29 -7.996 4.535 -7.873 184 HB2 ARG 29 1HB ARG 29 -7.479 5.064 -10.105 185 HB3 ARG 29 2HB ARG 29 -6.264 5.912 -9.157 186 HG2 ARG 29 1HG ARG 29 -4.564 4.514 -9.832 187 HG3 ARG 29 2HG ARG 29 -5.666 3.190 -10.217 188 HD2 ARG 29 1HD ARG 29 -5.180 3.886 -12.330 189 HD3 ARG 29 2HD ARG 29 -6.554 4.939 -11.995 190 HE ARG 29 HE ARG 29 -5.127 6.750 -11.932 191 HH11 ARG 29 2HH1 ARG 29 -3.300 3.788 -12.040 192 HH12 ARG 29 1HH1 ARG 29 -1.790 4.578 -12.355 193 HH21 ARG 29 2HH2 ARG 29 -3.145 7.801 -12.346 194 HH22 ARG 29 1HH2 ARG 29 -1.703 6.861 -12.528 195 H GLY 30 H GLY 30 -8.787 3.071 -9.705 196 HA2 GLY 30 1HA GLY 30 -9.110 0.969 -10.599 197 HA3 GLY 30 2HA GLY 30 -7.495 0.541 -10.053 198 H GLY 31 H GLY 31 -8.546 -1.541 -9.573 199 HA2 GLY 31 1HA GLY 31 -8.695 -2.555 -7.267 200 HA3 GLY 31 2HA GLY 31 -10.037 -1.447 -7.025 201 H ARG 32 H ARG 32 -10.779 -3.845 -6.513 202 HA ARG 32 HA ARG 32 -11.435 -5.575 -8.617 203 HB2 ARG 32 1HB ARG 32 -12.401 -5.201 -5.817 204 HB3 ARG 32 2HB ARG 32 -13.333 -6.234 -6.893 205 HG2 ARG 32 1HG ARG 32 -10.424 -6.570 -6.191 206 HG3 ARG 32 2HG ARG 32 -11.767 -7.536 -5.578 207 HD2 ARG 32 1HD ARG 32 -11.082 -8.899 -7.269 208 HD3 ARG 32 2HD ARG 32 -12.210 -7.884 -8.166 209 HE ARG 32 HE ARG 32 -9.648 -6.729 -8.249 210 HH11 ARG 32 2HH1 ARG 32 -11.414 -9.461 -9.488 211 HH12 ARG 32 1HH1 ARG 32 -10.458 -9.593 -10.926 212 HH21 ARG 32 2HH2 ARG 32 -8.381 -6.892 -10.139 213 HH22 ARG 32 1HH2 ARG 32 -8.732 -8.132 -11.295 214 H GLU 33 H GLU 33 -12.744 -2.557 -7.748 215 HA GLU 33 HA GLU 33 -15.404 -2.944 -8.694 216 HB2 GLU 33 1HB GLU 33 -13.841 -0.373 -8.405 217 HB3 GLU 33 2HB GLU 33 -15.584 -0.508 -8.592 218 HG2 GLU 33 1HG GLU 33 -15.325 -2.023 -6.438 219 HG3 GLU 33 2HG GLU 33 -13.880 -1.037 -6.228 220 H TYR 34 H TYR 34 -12.384 -1.938 -10.162 221 HA TYR 34 HA TYR 34 -13.766 -1.668 -12.749 222 HB2 TYR 34 1HB TYR 34 -10.985 -0.656 -12.258 223 HB3 TYR 34 2HB TYR 34 -12.174 -0.108 -13.434 224 HD1 TYR 34 2HD TYR 34 -11.147 0.043 -9.905 225 HD2 TYR 34 1HD TYR 34 -13.837 1.526 -12.849 226 HE1 TYR 34 2HE TYR 34 -11.814 1.850 -8.376 227 HE2 TYR 34 1HE TYR 34 -14.510 3.338 -11.329 228 HH TYR 34 HH TYR 34 -14.322 3.428 -8.376 229 H LYS 35 H LYS 35 -12.420 -4.004 -11.147 230 HA LYS 35 HA LYS 35 -11.275 -5.912 -11.625 231 HB2 LYS 35 1HB LYS 35 -12.035 -5.106 -14.438 232 HB3 LYS 35 2HB LYS 35 -11.362 -6.672 -14.004 233 HG2 LYS 35 1HG LYS 35 -13.866 -5.642 -12.723 234 HG3 LYS 35 2HG LYS 35 -13.896 -6.480 -14.276 235 HD2 LYS 35 1HD LYS 35 -12.557 -7.654 -11.854 236 HD3 LYS 35 2HD LYS 35 -14.276 -7.886 -12.178 237 HE2 LYS 35 1HE LYS 35 -12.130 -8.541 -14.183 238 HE3 LYS 35 2HE LYS 35 -12.717 -9.707 -12.998 239 HZ1 LYS 35 1HZ LYS 35 -14.602 -8.293 -14.771 240 HZ2 LYS 35 2HZ LYS 35 -14.801 -9.769 -13.970 241 HZ3 LYS 35 3HZ LYS 35 -13.780 -9.669 -15.315 242 H MET 36 H MET 36 -9.586 -3.902 -11.069 243 HA MET 36 HA MET 36 -7.270 -4.600 -12.663 244 HB2 MET 36 1HB MET 36 -6.620 -2.249 -13.048 245 HB3 MET 36 2HB MET 36 -8.102 -2.679 -13.890 246 HG2 MET 36 1HG MET 36 -9.292 -1.689 -11.829 247 HG3 MET 36 2HG MET 36 -7.735 -0.935 -11.493 248 HE1 MET 36 1HE MET 36 -8.390 2.054 -12.336 249 HE2 MET 36 2HE MET 36 -7.066 0.922 -12.057 250 HE3 MET 36 3HE MET 36 -7.195 1.767 -13.601 251 H ASP 37 H ASP 37 -5.246 -3.746 -11.695 252 HA ASP 37 HA ASP 37 -5.231 -4.191 -8.894 253 HB2 ASP 37 1HB ASP 37 -3.055 -3.055 -10.664 254 HB3 ASP 37 2HB ASP 37 -2.833 -3.673 -9.029 255 H LEU 38 H LEU 38 -4.032 -2.611 -7.403 256 HA LEU 38 HA LEU 38 -5.403 -0.039 -7.601 257 HB2 LEU 38 1HB LEU 38 -3.975 -1.409 -5.332 258 HB3 LEU 38 2HB LEU 38 -4.643 0.218 -5.225 259 HG LEU 38 HG LEU 38 -6.459 -2.001 -6.023 260 HD11 LEU 38 1HD1 LEU 38 -4.935 -2.529 -3.914 261 HD12 LEU 38 2HD1 LEU 38 -6.645 -2.955 -3.971 262 HD13 LEU 38 3HD1 LEU 38 -6.128 -1.499 -3.121 263 HD21 LEU 38 1HD2 LEU 38 -6.760 0.481 -4.335 264 HD22 LEU 38 2HD2 LEU 38 -8.055 -0.652 -4.726 265 HD23 LEU 38 3HD2 LEU 38 -7.280 0.281 -6.008 266 H TYR 39 H TYR 39 -4.357 1.641 -8.414 267 HA TYR 39 HA TYR 39 -1.432 1.778 -8.073 268 HB2 TYR 39 1HB TYR 39 -2.911 3.169 -10.290 269 HB3 TYR 39 2HB TYR 39 -1.204 2.752 -10.197 270 HD1 TYR 39 1HD TYR 39 -4.593 1.250 -10.502 271 HD2 TYR 39 2HD TYR 39 -0.416 0.767 -11.156 272 HE1 TYR 39 1HE TYR 39 -5.035 -0.812 -11.768 273 HE2 TYR 39 2HE TYR 39 -0.847 -1.295 -12.425 274 HH TYR 39 HH TYR 39 -4.156 -2.428 -13.022 275 H VAL 40 H VAL 40 -0.562 4.031 -8.118 276 HA VAL 40 HA VAL 40 -2.010 5.642 -6.225 277 HB VAL 40 HB VAL 40 0.572 6.314 -7.639 278 HG11 VAL 40 1HG1 VAL 40 0.590 7.385 -5.088 279 HG12 VAL 40 2HG1 VAL 40 0.299 8.263 -6.590 280 HG13 VAL 40 3HG1 VAL 40 -1.061 7.651 -5.648 281 HG21 VAL 40 1HG2 VAL 40 0.636 4.125 -6.444 282 HG22 VAL 40 2HG2 VAL 40 1.749 5.331 -5.798 283 HG23 VAL 40 3HG2 VAL 40 0.240 4.983 -4.954 284 H LEU 41 H LEU 41 -3.521 7.053 -6.782 285 HA LEU 41 HA LEU 41 -3.942 7.913 -9.454 286 HB2 LEU 41 1HB LEU 41 -5.676 7.655 -7.633 287 HB3 LEU 41 2HB LEU 41 -5.079 9.176 -6.972 288 HG LEU 41 HG LEU 41 -7.126 9.478 -8.282 289 HD11 LEU 41 1HD1 LEU 41 -5.017 11.087 -8.248 290 HD12 LEU 41 2HD1 LEU 41 -6.460 11.450 -9.193 291 HD13 LEU 41 3HD1 LEU 41 -5.048 10.742 -9.977 292 HD21 LEU 41 1HD2 LEU 41 -5.885 7.665 -10.043 293 HD22 LEU 41 2HD2 LEU 41 -6.039 9.192 -10.912 294 HD23 LEU 41 3HD2 LEU 41 -7.466 8.430 -10.207 295 H ARG 42 H ARG 42 -2.970 9.717 -6.533 296 HA ARG 42 HA ARG 42 -1.150 11.338 -8.066 297 HB2 ARG 42 1HB ARG 42 -2.820 12.800 -8.610 298 HB3 ARG 42 2HB ARG 42 -3.809 12.354 -7.227 299 HG2 ARG 42 1HG ARG 42 -1.277 13.867 -6.793 300 HG3 ARG 42 2HG ARG 42 -2.719 14.712 -7.359 301 HD2 ARG 42 1HD ARG 42 -2.948 12.878 -5.023 302 HD3 ARG 42 2HD ARG 42 -2.203 14.459 -4.790 303 HE ARG 42 HE ARG 42 -4.986 13.903 -5.272 304 HH11 ARG 42 2HH1 ARG 42 -2.456 16.287 -5.459 305 HH12 ARG 42 1HH1 ARG 42 -3.544 17.635 -5.410 306 HH21 ARG 42 2HH2 ARG 42 -6.428 15.669 -5.207 307 HH22 ARG 42 1HH2 ARG 42 -5.803 17.282 -5.267 308 H LEU 43 H LEU 43 0.275 12.552 -6.764 309 HA LEU 43 HA LEU 43 0.290 11.703 -3.953 310 HB2 LEU 43 1HB LEU 43 2.382 12.284 -5.960 311 HB3 LEU 43 2HB LEU 43 2.735 12.749 -4.297 312 HG LEU 43 HG LEU 43 2.121 9.975 -5.310 313 HD11 LEU 43 1HD1 LEU 43 4.593 11.439 -4.544 314 HD12 LEU 43 2HD1 LEU 43 4.324 10.269 -5.835 315 HD13 LEU 43 3HD1 LEU 43 4.478 9.720 -4.166 316 HD21 LEU 43 1HD2 LEU 43 2.827 9.441 -2.869 317 HD22 LEU 43 2HD2 LEU 43 1.168 9.940 -3.204 318 HD23 LEU 43 3HD2 LEU 43 2.324 11.101 -2.547 319 H ALA 44 H ALA 44 0.785 13.200 -2.298 320 HA ALA 44 HA ALA 44 -0.217 15.870 -2.840 321 HB1 ALA 44 1HB ALA 44 0.108 16.074 -0.295 322 HB2 ALA 44 2HB ALA 44 -1.145 14.989 -0.897 323 HB3 ALA 44 3HB ALA 44 0.395 14.334 -0.341 324 H GLU 45 H GLU 45 1.144 17.385 -3.520 325 HA GLU 45 HA GLU 45 3.930 17.252 -3.413 326 HB2 GLU 45 1HB GLU 45 3.888 19.647 -4.017 327 HB3 GLU 45 2HB GLU 45 2.790 18.687 -4.999 328 HG2 GLU 45 1HG GLU 45 0.897 19.471 -3.765 329 HG3 GLU 45 2HG GLU 45 1.937 20.288 -2.600 330 H ASP 46 H ASP 46 1.662 18.136 -1.007 331 HA ASP 46 HA ASP 46 3.839 19.183 0.682 332 HB2 ASP 46 1HB ASP 46 2.363 20.667 1.736 333 HB3 ASP 46 2HB ASP 46 1.898 20.758 0.040 334 H GLY 47 H GLY 47 2.366 16.444 0.146 335 HA2 GLY 47 1HA GLY 47 1.574 15.816 2.891 336 HA3 GLY 47 2HA GLY 47 1.362 14.781 1.486 337 HA PRO 48 HA PRO 48 5.186 13.651 4.092 338 HB2 PRO 48 1HB PRO 48 4.190 11.447 5.324 339 HB3 PRO 48 2HB PRO 48 4.092 13.066 6.025 340 HG2 PRO 48 1HG PRO 48 2.008 11.519 4.534 341 HG3 PRO 48 2HG PRO 48 1.837 12.497 6.003 342 HD2 PRO 48 1HD PRO 48 1.130 13.410 3.553 343 HD3 PRO 48 2HD PRO 48 1.759 14.477 4.826 344 H ALA 49 H ALA 49 2.942 12.120 1.971 345 HA ALA 49 HA ALA 49 4.425 9.726 1.502 346 HB1 ALA 49 1HB ALA 49 2.006 9.910 1.075 347 HB2 ALA 49 2HB ALA 49 2.342 11.028 -0.248 348 HB3 ALA 49 3HB ALA 49 2.902 9.358 -0.341 349 H ILE 50 H ILE 50 3.890 12.617 -0.526 350 HA ILE 50 HA ILE 50 5.676 11.987 -2.552 351 HB ILE 50 HB ILE 50 3.995 13.974 -2.320 352 HG12 ILE 50 1HG1 ILE 50 6.584 14.617 -3.711 353 HG13 ILE 50 2HG1 ILE 50 5.562 13.294 -4.264 354 HG21 ILE 50 1HG2 ILE 50 4.975 16.090 -1.749 355 HG22 ILE 50 2HG2 ILE 50 5.210 14.978 -0.401 356 HG23 ILE 50 3HG2 ILE 50 6.550 15.339 -1.489 357 HD11 ILE 50 1HD1 ILE 50 4.582 14.835 -5.534 358 HD12 ILE 50 2HD1 ILE 50 3.784 15.357 -4.050 359 HD13 ILE 50 3HD1 ILE 50 5.252 16.168 -4.594 360 H ARG 51 H ARG 51 6.328 12.837 0.682 361 HA ARG 51 HA ARG 51 9.034 13.759 0.120 362 HB2 ARG 51 1HB ARG 51 7.532 13.420 2.721 363 HB3 ARG 51 2HB ARG 51 9.174 14.038 2.592 364 HG2 ARG 51 1HG ARG 51 8.455 15.986 1.467 365 HG3 ARG 51 2HG ARG 51 6.843 15.320 1.198 366 HD2 ARG 51 1HD ARG 51 6.364 15.410 3.560 367 HD3 ARG 51 2HD ARG 51 8.014 15.925 3.909 368 HE ARG 51 HE ARG 51 6.717 17.716 2.119 369 HH11 ARG 51 2HH1 ARG 51 6.938 16.804 5.472 370 HH12 ARG 51 1HH1 ARG 51 6.477 18.366 6.062 371 HH21 ARG 51 2HH2 ARG 51 6.109 19.777 2.885 372 HH22 ARG 51 1HH2 ARG 51 6.005 20.056 4.590 373 H ASN 52 H ASN 52 7.362 10.882 0.964 374 HA ASN 52 HA ASN 52 9.420 9.498 2.307 375 HB2 ASN 52 1HB ASN 52 7.490 8.330 2.590 376 HB3 ASN 52 2HB ASN 52 6.854 8.800 1.016 377 HD21 ASN 52 1HD2 ASN 52 6.480 7.095 -0.183 378 HD22 ASN 52 2HD2 ASN 52 7.472 5.685 -0.295 379 H GLY 53 H GLY 53 8.362 9.296 -1.099 380 HA2 GLY 53 1HA GLY 53 9.851 9.244 -2.945 381 HA3 GLY 53 2HA GLY 53 11.140 8.750 -1.858 382 H ARG 54 H ARG 54 10.259 6.568 -0.623 383 HA ARG 54 HA ARG 54 10.716 4.472 -2.267 384 HB2 ARG 54 1HB ARG 54 8.972 4.650 0.177 385 HB3 ARG 54 2HB ARG 54 9.226 3.122 -0.656 386 HG2 ARG 54 1HG ARG 54 11.594 4.739 0.145 387 HG3 ARG 54 2HG ARG 54 10.725 3.813 1.370 388 HD2 ARG 54 1HD ARG 54 12.282 2.271 0.684 389 HD3 ARG 54 2HD ARG 54 10.933 1.879 -0.381 390 HE ARG 54 HE ARG 54 12.385 3.699 -1.792 391 HH11 ARG 54 2HH1 ARG 54 13.109 0.664 -0.247 392 HH12 ARG 54 1HH1 ARG 54 14.366 0.246 -1.364 393 HH21 ARG 54 2HH2 ARG 54 14.037 3.160 -3.269 394 HH22 ARG 54 1HH2 ARG 54 14.894 1.667 -3.082 395 H MET 55 H MET 55 7.732 6.247 -1.971 396 HA MET 55 HA MET 55 6.595 4.589 -4.121 397 HB2 MET 55 1HB MET 55 4.557 4.401 -3.095 398 HB3 MET 55 2HB MET 55 5.591 4.440 -1.673 399 HG2 MET 55 1HG MET 55 3.887 5.913 -1.145 400 HG3 MET 55 2HG MET 55 5.187 6.969 -1.692 401 HE1 MET 55 1HE MET 55 0.997 6.978 -3.113 402 HE2 MET 55 2HE MET 55 1.683 5.760 -2.036 403 HE3 MET 55 3HE MET 55 1.741 7.466 -1.589 404 H ARG 56 H ARG 56 5.607 5.659 -5.778 405 HA ARG 56 HA ARG 56 5.330 8.574 -5.562 406 HB2 ARG 56 1HB ARG 56 7.023 7.036 -7.456 407 HB3 ARG 56 2HB ARG 56 6.130 8.399 -8.116 408 HG2 ARG 56 1HG ARG 56 8.143 9.356 -7.537 409 HG3 ARG 56 2HG ARG 56 7.141 9.712 -6.128 410 HD2 ARG 56 1HD ARG 56 8.205 8.130 -4.813 411 HD3 ARG 56 2HD ARG 56 8.786 7.218 -6.205 412 HE ARG 56 HE ARG 56 10.156 9.293 -4.872 413 HH11 ARG 56 2HH1 ARG 56 9.519 8.069 -8.069 414 HH12 ARG 56 1HH1 ARG 56 10.996 8.679 -8.738 415 HH21 ARG 56 2HH2 ARG 56 12.104 10.102 -5.742 416 HH22 ARG 56 1HH2 ARG 56 12.466 9.834 -7.414 417 H VAL 57 H VAL 57 4.231 9.379 -7.720 418 HA VAL 57 HA VAL 57 1.746 7.894 -7.909 419 HB VAL 57 HB VAL 57 1.171 10.094 -7.771 420 HG11 VAL 57 1HG1 VAL 57 3.712 10.682 -9.264 421 HG12 VAL 57 2HG1 VAL 57 2.495 11.919 -8.945 422 HG13 VAL 57 3HG1 VAL 57 3.293 11.099 -7.603 423 HG21 VAL 57 1HG2 VAL 57 0.309 9.159 -9.916 424 HG22 VAL 57 2HG2 VAL 57 0.443 10.917 -9.901 425 HG23 VAL 57 3HG2 VAL 57 1.652 9.948 -10.743 426 H GLY 58 H GLY 58 1.356 6.450 -9.447 427 HA2 GLY 58 1HA GLY 58 1.143 6.135 -11.889 428 HA3 GLY 58 2HA GLY 58 2.792 6.731 -12.016 429 H ASP 59 H ASP 59 2.457 4.815 -9.291 430 HA ASP 59 HA ASP 59 3.795 2.596 -10.653 431 HB2 ASP 59 1HB ASP 59 3.696 3.553 -7.814 432 HB3 ASP 59 2HB ASP 59 4.137 1.882 -8.156 433 H GLN 60 H GLN 60 3.322 0.451 -9.171 434 HA GLN 60 HA GLN 60 0.394 0.124 -9.190 435 HB2 GLN 60 1HB GLN 60 1.748 -0.985 -11.086 436 HB3 GLN 60 2HB GLN 60 2.306 -2.102 -9.848 437 HG2 GLN 60 1HG GLN 60 -0.615 -1.657 -10.104 438 HG3 GLN 60 2HG GLN 60 0.196 -2.609 -11.347 439 HE21 GLN 60 1HE2 GLN 60 -0.991 -2.536 -8.146 440 HE22 GLN 60 2HE2 GLN 60 -0.560 -4.149 -7.704 441 H ILE 61 H ILE 61 -0.433 -0.453 -7.301 442 HA ILE 61 HA ILE 61 1.350 -1.418 -5.200 443 HB ILE 61 HB ILE 61 -1.564 -0.703 -4.918 444 HG12 ILE 61 1HG1 ILE 61 0.666 1.167 -4.197 445 HG13 ILE 61 2HG1 ILE 61 0.076 1.113 -5.855 446 HG21 ILE 61 1HG2 ILE 61 -0.787 -0.243 -2.550 447 HG22 ILE 61 2HG2 ILE 61 -0.828 -1.934 -3.047 448 HG23 ILE 61 3HG2 ILE 61 0.708 -1.070 -2.986 449 HD11 ILE 61 1HD1 ILE 61 -1.737 1.554 -3.506 450 HD12 ILE 61 2HD1 ILE 61 -0.932 2.870 -4.361 451 HD13 ILE 61 3HD1 ILE 61 -2.072 1.830 -5.215 452 H ILE 62 H ILE 62 1.501 -3.503 -4.739 453 HA ILE 62 HA ILE 62 -0.618 -5.316 -5.660 454 HB ILE 62 HB ILE 62 1.294 -7.026 -4.924 455 HG12 ILE 62 1HG1 ILE 62 2.677 -4.929 -4.243 456 HG13 ILE 62 2HG1 ILE 62 3.476 -6.231 -5.119 457 HG21 ILE 62 1HG2 ILE 62 1.303 -5.492 -7.520 458 HG22 ILE 62 2HG2 ILE 62 2.006 -7.087 -7.256 459 HG23 ILE 62 3HG2 ILE 62 0.261 -6.861 -7.134 460 HD11 ILE 62 1HD1 ILE 62 2.326 -3.853 -6.531 461 HD12 ILE 62 2HD1 ILE 62 3.955 -3.848 -5.854 462 HD13 ILE 62 3HD1 ILE 62 3.525 -5.010 -7.109 463 H GLU 63 H GLU 63 0.805 -3.987 -2.840 464 HA GLU 63 HA GLU 63 -0.918 -5.686 -1.186 465 HB2 GLU 63 1HB GLU 63 1.315 -6.651 -1.014 466 HB3 GLU 63 2HB GLU 63 1.985 -5.079 -0.601 467 HG2 GLU 63 1HG GLU 63 0.459 -5.109 1.415 468 HG3 GLU 63 2HG GLU 63 0.163 -6.806 1.042 469 H ILE 64 H ILE 64 -1.539 -4.743 0.825 470 HA ILE 64 HA ILE 64 -0.866 -1.937 1.249 471 HB ILE 64 HB ILE 64 -3.679 -2.917 0.778 472 HG12 ILE 64 1HG1 ILE 64 -2.109 -0.661 -0.485 473 HG13 ILE 64 2HG1 ILE 64 -2.340 -2.249 -1.208 474 HG21 ILE 64 1HG2 ILE 64 -2.784 -0.934 2.613 475 HG22 ILE 64 2HG2 ILE 64 -3.635 -0.136 1.291 476 HG23 ILE 64 3HG2 ILE 64 -4.436 -1.406 2.215 477 HD11 ILE 64 1HD1 ILE 64 -4.861 -1.079 -0.455 478 HD12 ILE 64 2HD1 ILE 64 -3.947 -0.012 -1.523 479 HD13 ILE 64 3HD1 ILE 64 -4.310 -1.663 -2.025 480 H ASN 65 H ASN 65 -0.472 -1.625 3.332 481 HA ASN 65 HA ASN 65 -0.257 -2.082 5.564 482 HB2 ASN 65 1HB ASN 65 -3.168 -2.007 4.955 483 HB3 ASN 65 2HB ASN 65 -2.696 -2.579 6.553 484 HD21 ASN 65 1HD2 ASN 65 -4.077 -0.120 5.629 485 HD22 ASN 65 2HD2 ASN 65 -3.170 1.185 6.306 486 H GLY 66 H GLY 66 0.617 -4.246 4.300 487 HA2 GLY 66 1HA GLY 66 0.976 -6.504 4.498 488 HA3 GLY 66 2HA GLY 66 0.367 -6.316 6.135 489 H GLU 67 H GLU 67 -1.369 -5.827 3.089 490 HA GLU 67 HA GLU 67 -2.918 -8.258 3.567 491 HB2 GLU 67 1HB GLU 67 -4.164 -5.520 3.265 492 HB3 GLU 67 2HB GLU 67 -5.049 -7.038 3.274 493 HG2 GLU 67 1HG GLU 67 -3.832 -7.349 5.585 494 HG3 GLU 67 2HG GLU 67 -3.740 -5.590 5.511 495 H SER 68 H SER 68 -3.148 -9.344 1.733 496 HA SER 68 HA SER 68 -2.163 -8.492 -0.723 497 HB2 SER 68 1HB SER 68 -3.120 -10.481 -1.657 498 HB3 SER 68 2HB SER 68 -2.618 -10.874 -0.013 499 HG SER 68 HG SER 68 -5.203 -10.523 -1.053 500 H THR 69 H THR 69 -2.962 -7.352 -2.379 501 HA THR 69 HA THR 69 -5.742 -6.409 -2.163 502 HB THR 69 HB THR 69 -5.141 -4.428 -3.291 503 HG1 THR 69 1HG THR 69 -2.490 -5.194 -3.777 504 HG21 THR 69 1HG2 THR 69 -3.420 -5.327 -1.105 505 HG22 THR 69 2HG2 THR 69 -4.289 -3.805 -1.310 506 HG23 THR 69 3HG2 THR 69 -2.713 -4.031 -2.069 507 H ARG 70 H ARG 70 -5.773 -8.817 -3.182 508 HA ARG 70 HA ARG 70 -5.668 -8.579 -6.106 509 HB2 ARG 70 1HB ARG 70 -5.758 -11.003 -6.165 510 HB3 ARG 70 2HB ARG 70 -4.473 -10.484 -5.083 511 HG2 ARG 70 1HG ARG 70 -5.992 -10.870 -3.167 512 HG3 ARG 70 2HG ARG 70 -7.191 -11.506 -4.294 513 HD2 ARG 70 1HD ARG 70 -6.038 -13.369 -3.369 514 HD3 ARG 70 2HD ARG 70 -5.475 -13.179 -5.029 515 HE ARG 70 HE ARG 70 -3.835 -11.856 -3.064 516 HH11 ARG 70 2HH1 ARG 70 -4.435 -14.815 -4.797 517 HH12 ARG 70 1HH1 ARG 70 -2.820 -15.411 -4.600 518 HH21 ARG 70 2HH2 ARG 70 -1.706 -12.630 -2.797 519 HH22 ARG 70 1HH2 ARG 70 -1.269 -14.167 -3.461 520 H ASP 71 H ASP 71 -7.818 -9.437 -3.438 521 HA ASP 71 HA ASP 71 -10.092 -9.238 -5.303 522 HB2 ASP 71 1HB ASP 71 -11.317 -10.781 -3.889 523 HB3 ASP 71 2HB ASP 71 -9.782 -11.509 -4.352 524 H MET 72 H MET 72 -9.147 -6.909 -4.319 525 HA MET 72 HA MET 72 -11.138 -6.196 -2.268 526 HB2 MET 72 1HB MET 72 -8.507 -4.771 -2.602 527 HB3 MET 72 2HB MET 72 -9.633 -4.675 -1.255 528 HG2 MET 72 1HG MET 72 -9.109 -7.200 -0.974 529 HG3 MET 72 2HG MET 72 -7.683 -6.825 -1.940 530 HE1 MET 72 1HE MET 72 -6.776 -4.300 -1.447 531 HE2 MET 72 2HE MET 72 -7.688 -3.462 -0.192 532 HE3 MET 72 3HE MET 72 -6.039 -4.000 0.127 533 H THR 73 H THR 73 -12.029 -4.071 -2.414 534 HA THR 73 HA THR 73 -12.040 -3.053 -5.168 535 HB THR 73 HB THR 73 -14.140 -1.845 -4.419 536 HG1 THR 73 1HG THR 73 -13.438 -2.458 -2.072 537 HG21 THR 73 1HG2 THR 73 -13.927 -4.838 -4.537 538 HG22 THR 73 2HG2 THR 73 -14.504 -3.718 -5.772 539 HG23 THR 73 3HG2 THR 73 -15.488 -4.040 -4.345 540 H HIS 74 H HIS 74 -11.764 -0.873 -5.620 541 HA HIS 74 HA HIS 74 -9.847 0.588 -4.488 542 HB2 HIS 74 1HB HIS 74 -11.347 1.174 -6.497 543 HB3 HIS 74 2HB HIS 74 -12.372 1.997 -5.325 544 HD1 HIS 74 1HD HIS 74 -11.559 4.028 -7.046 545 HD2 HIS 74 2HD HIS 74 -8.817 2.586 -4.278 546 HE1 HIS 74 1HE HIS 74 -9.801 5.815 -6.848 547 HE2 HIS 74 2HE HIS 74 -8.109 4.884 -5.232 548 H ALA 75 H ALA 75 -13.107 0.297 -3.236 549 HA ALA 75 HA ALA 75 -12.982 2.359 -1.316 550 HB1 ALA 75 1HB ALA 75 -14.855 0.422 -2.129 551 HB2 ALA 75 2HB ALA 75 -14.631 0.214 -0.392 552 HB3 ALA 75 3HB ALA 75 -15.106 1.785 -1.038 553 H ARG 76 H ARG 76 -12.511 -1.159 -0.955 554 HA ARG 76 HA ARG 76 -11.908 -1.302 1.709 555 HB2 ARG 76 1HB ARG 76 -12.065 -3.311 0.423 556 HB3 ARG 76 2HB ARG 76 -10.722 -2.829 -0.606 557 HG2 ARG 76 1HG ARG 76 -10.156 -4.585 1.051 558 HG3 ARG 76 2HG ARG 76 -9.159 -3.134 1.175 559 HD2 ARG 76 1HD ARG 76 -10.064 -2.518 3.179 560 HD3 ARG 76 2HD ARG 76 -11.618 -3.274 2.832 561 HE ARG 76 HE ARG 76 -9.542 -5.202 3.150 562 HH11 ARG 76 2HH1 ARG 76 -11.722 -3.120 4.892 563 HH12 ARG 76 1HH1 ARG 76 -11.741 -4.111 6.313 564 HH21 ARG 76 2HH2 ARG 76 -9.559 -6.515 5.015 565 HH22 ARG 76 1HH2 ARG 76 -10.510 -6.041 6.382 566 H ALA 77 H ALA 77 -9.554 -0.766 -0.914 567 HA ALA 77 HA ALA 77 -7.272 -0.476 0.624 568 HB1 ALA 77 1HB ALA 77 -6.276 0.610 -1.241 569 HB2 ALA 77 2HB ALA 77 -7.408 -0.582 -1.881 570 HB3 ALA 77 3HB ALA 77 -7.845 1.126 -1.860 571 H ILE 78 H ILE 78 -9.572 2.044 -0.386 572 HA ILE 78 HA ILE 78 -8.256 4.202 0.838 573 HB ILE 78 HB ILE 78 -11.219 3.902 0.333 574 HG12 ILE 78 1HG1 ILE 78 -9.430 3.662 -1.598 575 HG13 ILE 78 2HG1 ILE 78 -10.900 4.600 -1.840 576 HG21 ILE 78 1HG2 ILE 78 -9.474 6.230 1.036 577 HG22 ILE 78 2HG2 ILE 78 -10.962 6.463 0.121 578 HG23 ILE 78 3HG2 ILE 78 -11.020 5.745 1.731 579 HD11 ILE 78 1HD1 ILE 78 -8.707 5.615 -2.625 580 HD12 ILE 78 2HD1 ILE 78 -9.765 6.632 -1.646 581 HD13 ILE 78 3HD1 ILE 78 -8.350 5.872 -0.917 582 H GLU 79 H GLU 79 -10.039 1.618 2.175 583 HA GLU 79 HA GLU 79 -10.630 3.059 4.644 584 HB2 GLU 79 1HB GLU 79 -12.445 1.729 4.313 585 HB3 GLU 79 2HB GLU 79 -11.536 0.534 3.399 586 HG2 GLU 79 1HG GLU 79 -10.974 -0.663 5.246 587 HG3 GLU 79 2HG GLU 79 -10.986 0.748 6.302 588 H LEU 80 H LEU 80 -8.511 0.573 3.383 589 HA LEU 80 HA LEU 80 -7.513 -0.356 5.862 590 HB2 LEU 80 1HB LEU 80 -6.312 -0.381 3.100 591 HB3 LEU 80 2HB LEU 80 -5.610 -1.208 4.489 592 HG LEU 80 HG LEU 80 -8.186 -1.836 3.063 593 HD11 LEU 80 1HD1 LEU 80 -7.178 -3.917 2.578 594 HD12 LEU 80 2HD1 LEU 80 -5.846 -3.616 3.694 595 HD13 LEU 80 3HD1 LEU 80 -5.972 -2.686 2.201 596 HD21 LEU 80 1HD2 LEU 80 -8.701 -2.013 5.389 597 HD22 LEU 80 2HD2 LEU 80 -7.182 -2.847 5.719 598 HD23 LEU 80 3HD2 LEU 80 -8.438 -3.643 4.770 599 H ILE 81 H ILE 81 -6.520 2.224 3.676 600 HA ILE 81 HA ILE 81 -4.065 2.854 4.874 601 HB ILE 81 HB ILE 81 -5.949 4.794 3.530 602 HG12 ILE 81 1HG1 ILE 81 -3.697 3.343 2.167 603 HG13 ILE 81 2HG1 ILE 81 -5.294 2.611 2.282 604 HG21 ILE 81 1HG2 ILE 81 -3.053 4.860 4.265 605 HG22 ILE 81 2HG2 ILE 81 -3.636 5.777 2.877 606 HG23 ILE 81 3HG2 ILE 81 -4.292 6.095 4.482 607 HD11 ILE 81 1HD1 ILE 81 -5.079 5.379 1.229 608 HD12 ILE 81 2HD1 ILE 81 -4.590 4.033 0.198 609 HD13 ILE 81 3HD1 ILE 81 -6.232 4.103 0.838 610 H LYS 82 H LYS 82 -7.352 3.708 5.716 611 HA LYS 82 HA LYS 82 -6.414 5.509 7.824 612 HB2 LYS 82 1HB LYS 82 -9.058 5.652 8.096 613 HB3 LYS 82 2HB LYS 82 -8.193 6.590 6.887 614 HG2 LYS 82 1HG LYS 82 -8.720 4.912 5.197 615 HG3 LYS 82 2HG LYS 82 -9.579 3.959 6.409 616 HD2 LYS 82 1HD LYS 82 -11.204 5.200 5.174 617 HD3 LYS 82 2HD LYS 82 -11.078 5.929 6.777 618 HE2 LYS 82 1HE LYS 82 -9.358 7.001 4.600 619 HE3 LYS 82 2HE LYS 82 -11.076 7.393 4.571 620 HZ1 LYS 82 1HZ LYS 82 -10.882 8.739 6.336 621 HZ2 LYS 82 2HZ LYS 82 -9.242 8.785 5.927 622 HZ3 LYS 82 3HZ LYS 82 -9.782 7.734 7.138 623 H SER 83 H SER 83 -7.303 2.287 7.377 624 HA SER 83 HA SER 83 -8.437 1.857 9.993 625 HB2 SER 83 1HB SER 83 -9.089 0.468 8.043 626 HB3 SER 83 2HB SER 83 -7.445 -0.167 7.970 627 HG SER 83 HG SER 83 -8.866 -0.336 10.380 628 H GLY 84 H GLY 84 -5.295 1.620 8.477 629 HA2 GLY 84 1HA GLY 84 -4.059 0.104 10.559 630 HA3 GLY 84 2HA GLY 84 -3.231 1.001 9.295 631 H GLY 85 H GLY 85 -4.504 3.537 9.954 632 HA2 GLY 85 1HA GLY 85 -4.605 4.856 12.080 633 HA3 GLY 85 2HA GLY 85 -3.079 4.084 12.484 634 H ARG 86 H ARG 86 -1.527 5.564 12.400 635 HA ARG 86 HA ARG 86 -1.643 7.663 10.368 636 HB2 ARG 86 1HB ARG 86 -0.339 7.350 13.010 637 HB3 ARG 86 2HB ARG 86 0.547 8.286 11.813 638 HG2 ARG 86 1HG ARG 86 -0.990 9.973 11.787 639 HG3 ARG 86 2HG ARG 86 -2.324 8.912 12.245 640 HD2 ARG 86 1HD ARG 86 -1.726 8.935 14.500 641 HD3 ARG 86 2HD ARG 86 -0.090 9.495 14.154 642 HE ARG 86 HE ARG 86 -2.449 11.112 14.469 643 HH11 ARG 86 2HH1 ARG 86 0.751 10.935 13.112 644 HH12 ARG 86 1HH1 ARG 86 0.965 12.653 13.059 645 HH21 ARG 86 2HH2 ARG 86 -2.180 13.376 14.405 646 HH22 ARG 86 1HH2 ARG 86 -0.702 14.041 13.796 647 H ARG 87 H ARG 87 -0.065 4.709 11.029 648 HA ARG 87 HA ARG 87 2.037 5.311 9.059 649 HB2 ARG 87 1HB ARG 87 1.980 3.004 11.006 650 HB3 ARG 87 2HB ARG 87 3.335 3.535 10.019 651 HG2 ARG 87 1HG ARG 87 3.663 5.466 11.321 652 HG3 ARG 87 2HG ARG 87 2.097 5.289 12.116 653 HD2 ARG 87 1HD ARG 87 2.832 3.572 13.473 654 HD3 ARG 87 2HD ARG 87 4.135 3.124 12.374 655 HE ARG 87 HE ARG 87 4.410 5.725 13.602 656 HH11 ARG 87 2HH1 ARG 87 5.130 2.325 13.801 657 HH12 ARG 87 1HH1 ARG 87 6.495 2.542 14.846 658 HH21 ARG 87 2HH2 ARG 87 6.204 6.024 14.979 659 HH22 ARG 87 1HH2 ARG 87 7.104 4.647 15.516 660 H VAL 88 H VAL 88 1.834 4.455 7.105 661 HA VAL 88 HA VAL 88 0.235 1.997 6.800 662 HB VAL 88 HB VAL 88 -0.966 3.992 5.937 663 HG11 VAL 88 1HG1 VAL 88 1.229 5.110 5.221 664 HG12 VAL 88 2HG1 VAL 88 1.088 4.138 3.755 665 HG13 VAL 88 3HG1 VAL 88 -0.174 5.298 4.170 666 HG21 VAL 88 1HG2 VAL 88 -1.326 1.740 4.996 667 HG22 VAL 88 2HG2 VAL 88 -1.586 3.018 3.809 668 HG23 VAL 88 3HG2 VAL 88 -0.096 2.074 3.776 669 H ARG 89 H ARG 89 1.118 0.390 5.626 670 HA ARG 89 HA ARG 89 3.573 0.973 4.109 671 HB2 ARG 89 1HB ARG 89 4.351 -0.054 6.102 672 HB3 ARG 89 2HB ARG 89 3.066 -1.254 6.074 673 HG2 ARG 89 1HG ARG 89 4.142 -2.020 3.856 674 HG3 ARG 89 2HG ARG 89 5.547 -1.110 4.415 675 HD2 ARG 89 1HD ARG 89 4.172 -3.244 6.037 676 HD3 ARG 89 2HD ARG 89 5.564 -3.547 4.998 677 HE ARG 89 HE ARG 89 6.190 -1.449 6.746 678 HH11 ARG 89 2HH1 ARG 89 5.563 -4.873 6.807 679 HH12 ARG 89 1HH1 ARG 89 6.555 -5.162 8.198 680 HH21 ARG 89 2HH2 ARG 89 7.499 -1.817 8.577 681 HH22 ARG 89 1HH2 ARG 89 7.655 -3.423 9.205 682 H LEU 90 H LEU 90 3.384 0.415 2.051 683 HA LEU 90 HA LEU 90 1.747 -1.923 1.352 684 HB2 LEU 90 1HB LEU 90 1.282 -0.434 -0.798 685 HB3 LEU 90 2HB LEU 90 0.242 -0.402 0.624 686 HG LEU 90 HG LEU 90 2.465 1.561 0.522 687 HD11 LEU 90 1HD1 LEU 90 1.790 2.703 -1.261 688 HD12 LEU 90 2HD1 LEU 90 0.096 2.587 -0.785 689 HD13 LEU 90 3HD1 LEU 90 0.843 1.283 -1.708 690 HD21 LEU 90 1HD2 LEU 90 1.270 1.988 2.387 691 HD22 LEU 90 2HD2 LEU 90 -0.197 1.243 1.751 692 HD23 LEU 90 3HD2 LEU 90 0.242 2.882 1.267 693 H LEU 91 H LEU 91 2.420 -3.083 -0.460 694 HA LEU 91 HA LEU 91 5.223 -2.770 -1.103 695 HB2 LEU 91 1HB LEU 91 3.976 -4.965 -0.642 696 HB3 LEU 91 2HB LEU 91 3.363 -4.806 -2.287 697 HG LEU 91 HG LEU 91 6.226 -5.180 -1.422 698 HD11 LEU 91 1HD1 LEU 91 4.192 -6.864 -2.836 699 HD12 LEU 91 2HD1 LEU 91 5.200 -7.267 -1.446 700 HD13 LEU 91 3HD1 LEU 91 5.920 -7.144 -3.051 701 HD21 LEU 91 1HD2 LEU 91 5.131 -4.651 -4.183 702 HD22 LEU 91 2HD2 LEU 91 6.792 -5.105 -3.804 703 HD23 LEU 91 3HD2 LEU 91 6.149 -3.562 -3.240 704 H LEU 92 H LEU 92 5.782 -1.355 -2.621 705 HA LEU 92 HA LEU 92 4.174 -1.253 -5.088 706 HB2 LEU 92 1HB LEU 92 4.180 0.787 -3.490 707 HB3 LEU 92 2HB LEU 92 5.804 1.063 -4.118 708 HG LEU 92 HG LEU 92 4.669 1.019 -6.439 709 HD11 LEU 92 1HD1 LEU 92 2.454 0.923 -6.590 710 HD12 LEU 92 2HD1 LEU 92 2.242 2.130 -5.321 711 HD13 LEU 92 3HD1 LEU 92 2.445 0.430 -4.896 712 HD21 LEU 92 1HD2 LEU 92 5.286 3.039 -4.619 713 HD22 LEU 92 2HD2 LEU 92 3.686 3.450 -5.238 714 HD23 LEU 92 3HD2 LEU 92 5.030 3.210 -6.356 715 H LYS 93 H LYS 93 5.247 -1.283 -7.018 716 HA LYS 93 HA LYS 93 8.185 -1.466 -6.910 717 HB2 LYS 93 1HB LYS 93 8.210 -3.303 -8.384 718 HB3 LYS 93 2HB LYS 93 6.955 -3.684 -7.211 719 HG2 LYS 93 1HG LYS 93 5.379 -2.581 -8.980 720 HG3 LYS 93 2HG LYS 93 6.704 -2.949 -10.087 721 HD2 LYS 93 1HD LYS 93 6.574 -5.278 -9.586 722 HD3 LYS 93 2HD LYS 93 5.454 -4.989 -8.254 723 HE2 LYS 93 1HE LYS 93 4.803 -4.252 -11.095 724 HE3 LYS 93 2HE LYS 93 4.467 -5.853 -10.438 725 HZ1 LYS 93 1HZ LYS 93 2.916 -5.008 -8.959 726 HZ2 LYS 93 2HZ LYS 93 2.631 -4.095 -10.354 727 HZ3 LYS 93 3HZ LYS 93 3.501 -3.425 -9.067 728 H ARG 94 H ARG 94 9.236 -0.174 -8.281 729 HA ARG 94 HA ARG 94 7.688 1.458 -10.119 730 HB2 ARG 94 1HB ARG 94 9.230 2.713 -8.853 731 HB3 ARG 94 2HB ARG 94 10.522 1.549 -9.117 732 HG2 ARG 94 1HG ARG 94 10.942 3.532 -10.409 733 HG3 ARG 94 2HG ARG 94 10.576 2.190 -11.495 734 HD2 ARG 94 1HD ARG 94 9.255 3.798 -12.427 735 HD3 ARG 94 2HD ARG 94 8.120 3.136 -11.251 736 HE ARG 94 HE ARG 94 8.211 5.114 -10.093 737 HH11 ARG 94 2HH1 ARG 94 10.816 5.003 -12.400 738 HH12 ARG 94 1HH1 ARG 94 11.272 6.658 -12.161 739 HH21 ARG 94 2HH2 ARG 94 8.801 7.293 -9.770 740 HH22 ARG 94 1HH2 ARG 94 10.126 7.959 -10.664 741 H GLY 95 H GLY 95 8.004 1.573 -12.337 742 HA2 GLY 95 1HA GLY 95 9.102 -0.856 -13.520 743 HA3 GLY 95 2HA GLY 95 8.106 0.341 -14.335 744 H THR 96 H THR 96 11.214 0.472 -12.592 745 HA THR 96 HA THR 96 12.282 2.214 -14.659 746 HB THR 96 HB THR 96 12.712 2.732 -12.280 747 HG1 THR 96 1HG THR 96 14.869 2.171 -14.028 748 HG21 THR 96 1HG2 THR 96 14.247 0.135 -12.359 749 HG22 THR 96 2HG2 THR 96 12.879 0.540 -11.323 750 HG23 THR 96 3HG2 THR 96 14.429 1.349 -11.093 751 H GLY 97 H GLY 97 12.045 -1.060 -14.219 752 HA2 GLY 97 1HA GLY 97 14.441 -1.519 -15.884 753 HA3 GLY 97 2HA GLY 97 14.019 -2.604 -14.567 754 H SER 98 H SER 98 14.134 -2.642 -17.701 755 HA SER 98 HA SER 98 11.447 -3.586 -18.290 756 HB2 SER 98 1HB SER 98 13.913 -3.151 -19.971 757 HB3 SER 98 2HB SER 98 12.483 -3.965 -20.605 758 HG SER 98 HG SER 98 11.525 -2.105 -20.767 759 H GLY 99 H GLY 99 12.877 -5.098 -16.361 760 HA2 GLY 99 1HA GLY 99 12.327 -7.622 -16.648 761 HA3 GLY 99 2HA GLY 99 13.645 -7.536 -17.809 762 HA PRO 100 HA PRO 100 15.044 -7.764 -13.173 763 HB2 PRO 100 1HB PRO 100 14.662 -10.372 -12.524 764 HB3 PRO 100 2HB PRO 100 13.463 -9.115 -12.195 765 HG2 PRO 100 1HG PRO 100 13.571 -11.089 -14.444 766 HG3 PRO 100 2HG PRO 100 12.180 -10.576 -13.471 767 HD2 PRO 100 1HD PRO 100 12.660 -9.604 -15.952 768 HD3 PRO 100 2HD PRO 100 11.891 -8.634 -14.680 769 H SER 101 H SER 101 15.361 -11.096 -14.062 770 HA SER 101 HA SER 101 18.170 -10.607 -14.805 771 HB2 SER 101 1HB SER 101 18.640 -12.877 -13.947 772 HB3 SER 101 2HB SER 101 17.954 -11.836 -12.700 773 HG SER 101 HG SER 101 17.089 -14.151 -13.254 774 H SER 102 H SER 102 17.728 -10.378 -17.019 775 HA SER 102 HA SER 102 17.151 -12.922 -18.373 776 HB2 SER 102 1HB SER 102 15.157 -11.356 -18.402 777 HB3 SER 102 2HB SER 102 16.134 -10.260 -19.380 778 HG SER 102 HG SER 102 15.780 -11.482 -21.047 779 H GLY 103 H GLY 103 18.245 -13.270 -20.309 780 HA2 GLY 103 1HA GLY 103 20.813 -12.546 -20.612 781 HA3 GLY 103 2HA GLY 103 19.786 -12.873 -22.000 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.192 -19.647 -11.655 2 HA2 GLY 1 1HA GLY 1 16.937 -19.994 -11.760 3 HA3 GLY 1 2HA GLY 1 16.267 -21.572 -11.374 4 H SER 2 H SER 2 15.624 -18.886 -13.633 5 HA SER 2 HA SER 2 14.806 -18.934 -15.780 6 HB2 SER 2 1HB SER 2 17.032 -20.979 -15.971 7 HB3 SER 2 2HB SER 2 16.317 -20.114 -17.332 8 HG SER 2 HG SER 2 17.813 -18.698 -16.915 9 H SER 3 H SER 3 13.210 -20.512 -14.156 10 HA SER 3 HA SER 3 12.651 -22.880 -15.813 11 HB2 SER 3 1HB SER 3 13.012 -23.545 -13.549 12 HB3 SER 3 2HB SER 3 11.982 -22.252 -12.935 13 HG SER 3 HG SER 3 10.992 -24.378 -13.008 14 H GLY 4 H GLY 4 10.398 -23.404 -16.227 15 HA2 GLY 4 1HA GLY 4 8.956 -21.229 -17.274 16 HA3 GLY 4 2HA GLY 4 8.330 -22.857 -17.057 17 H SER 5 H SER 5 8.573 -19.665 -15.703 18 HA SER 5 HA SER 5 6.224 -20.136 -14.098 19 HB2 SER 5 1HB SER 5 7.131 -19.763 -11.961 20 HB3 SER 5 2HB SER 5 8.285 -20.862 -12.717 21 HG SER 5 HG SER 5 9.239 -18.626 -13.382 22 H SER 6 H SER 6 5.010 -18.354 -14.065 23 HA SER 6 HA SER 6 5.699 -16.049 -15.482 24 HB2 SER 6 1HB SER 6 3.365 -16.885 -14.877 25 HB3 SER 6 2HB SER 6 3.610 -16.130 -13.302 26 HG SER 6 HG SER 6 3.303 -14.238 -14.173 27 H GLY 7 H GLY 7 7.116 -14.522 -14.982 28 HA2 GLY 7 1HA GLY 7 7.101 -13.271 -12.389 29 HA3 GLY 7 2HA GLY 7 8.553 -14.214 -12.691 30 H GLN 8 H GLN 8 6.638 -11.472 -13.778 31 HA GLN 8 HA GLN 8 9.061 -10.398 -15.065 32 HB2 GLN 8 1HB GLN 8 6.206 -10.351 -15.996 33 HB3 GLN 8 2HB GLN 8 7.339 -9.112 -16.519 34 HG2 GLN 8 1HG GLN 8 8.834 -11.074 -17.233 35 HG3 GLN 8 2HG GLN 8 7.373 -12.049 -17.085 36 HE21 GLN 8 1HE2 GLN 8 8.718 -11.759 -19.480 37 HE22 GLN 8 2HE2 GLN 8 7.732 -10.862 -20.579 38 H ASP 9 H ASP 9 8.247 -10.027 -12.342 39 HA ASP 9 HA ASP 9 7.127 -7.351 -12.199 40 HB2 ASP 9 1HB ASP 9 7.775 -7.832 -9.657 41 HB3 ASP 9 2HB ASP 9 6.320 -8.500 -10.392 42 H PHE 10 H PHE 10 8.284 -5.544 -12.131 43 HA PHE 10 HA PHE 10 11.009 -5.418 -12.574 44 HB2 PHE 10 1HB PHE 10 9.668 -3.225 -11.040 45 HB3 PHE 10 2HB PHE 10 10.823 -3.114 -12.364 46 HD1 PHE 10 2HD PHE 10 9.731 -4.581 -14.516 47 HD2 PHE 10 1HD PHE 10 7.681 -2.245 -11.608 48 HE1 PHE 10 2HE PHE 10 7.881 -4.239 -16.101 49 HE2 PHE 10 1HE PHE 10 5.827 -1.899 -13.188 50 HZ PHE 10 HZ PHE 10 5.925 -2.896 -15.438 51 H ASP 11 H ASP 11 9.399 -4.623 -9.489 52 HA ASP 11 HA ASP 11 11.315 -6.069 -7.945 53 HB2 ASP 11 1HB ASP 11 12.384 -3.765 -8.705 54 HB3 ASP 11 2HB ASP 11 11.428 -3.143 -7.363 55 H TYR 12 H TYR 12 10.214 -6.801 -6.261 56 HA TYR 12 HA TYR 12 7.754 -5.466 -5.463 57 HB2 TYR 12 1HB TYR 12 8.941 -8.173 -5.017 58 HB3 TYR 12 2HB TYR 12 7.728 -7.584 -3.885 59 HD1 TYR 12 1HD TYR 12 5.894 -6.124 -5.651 60 HD2 TYR 12 2HD TYR 12 7.881 -9.838 -6.248 61 HE1 TYR 12 1HE TYR 12 4.110 -6.824 -7.194 62 HE2 TYR 12 2HE TYR 12 6.104 -10.548 -7.793 63 HH TYR 12 HH TYR 12 4.305 -9.877 -8.963 64 H PHE 13 H PHE 13 8.681 -3.627 -4.445 65 HA PHE 13 HA PHE 13 10.076 -4.178 -1.914 66 HB2 PHE 13 1HB PHE 13 11.055 -2.041 -2.036 67 HB3 PHE 13 2HB PHE 13 11.117 -2.643 -3.689 68 HD1 PHE 13 1HD PHE 13 9.437 -1.825 -5.348 69 HD2 PHE 13 2HD PHE 13 9.881 -0.079 -1.492 70 HE1 PHE 13 1HE PHE 13 8.250 0.186 -6.125 71 HE2 PHE 13 2HE PHE 13 8.695 1.934 -2.263 72 HZ PHE 13 HZ PHE 13 7.877 2.068 -4.582 73 H THR 14 H THR 14 9.516 -2.813 -0.065 74 HA THR 14 HA THR 14 6.621 -2.331 0.018 75 HB THR 14 HB THR 14 6.815 -2.471 2.457 76 HG1 THR 14 1HG THR 14 8.967 -1.705 2.668 77 HG21 THR 14 1HG2 THR 14 6.617 -4.695 2.353 78 HG22 THR 14 2HG2 THR 14 8.302 -4.892 1.870 79 HG23 THR 14 3HG2 THR 14 7.069 -4.565 0.653 80 H VAL 15 H VAL 15 5.843 -0.501 1.302 81 HA VAL 15 HA VAL 15 7.677 1.802 1.137 82 HB VAL 15 HB VAL 15 4.670 1.826 0.843 83 HG11 VAL 15 1HG1 VAL 15 6.646 3.911 1.312 84 HG12 VAL 15 2HG1 VAL 15 5.663 4.204 -0.124 85 HG13 VAL 15 3HG1 VAL 15 4.888 3.966 1.442 86 HG21 VAL 15 1HG2 VAL 15 5.028 2.282 -1.488 87 HG22 VAL 15 2HG2 VAL 15 6.777 2.317 -1.259 88 HG23 VAL 15 3HG2 VAL 15 5.893 0.803 -1.068 89 H ASP 16 H ASP 16 7.671 3.306 2.802 90 HA ASP 16 HA ASP 16 6.039 2.689 5.162 91 HB2 ASP 16 1HB ASP 16 8.246 1.651 5.500 92 HB3 ASP 16 2HB ASP 16 9.020 3.208 5.218 93 H MET 17 H MET 17 4.886 4.442 5.592 94 HA MET 17 HA MET 17 6.204 7.028 5.743 95 HB2 MET 17 1HB MET 17 3.613 7.069 4.296 96 HB3 MET 17 2HB MET 17 5.013 8.120 4.127 97 HG2 MET 17 1HG MET 17 6.188 6.274 2.960 98 HG3 MET 17 2HG MET 17 4.697 5.338 3.029 99 HE1 MET 17 1HE MET 17 2.598 8.242 2.257 100 HE2 MET 17 2HE MET 17 2.243 7.211 0.870 101 HE3 MET 17 3HE MET 17 2.481 6.494 2.465 102 H GLU 18 H GLU 18 4.797 8.681 6.757 103 HA GLU 18 HA GLU 18 2.862 7.420 8.588 104 HB2 GLU 18 1HB GLU 18 5.058 9.349 9.039 105 HB3 GLU 18 2HB GLU 18 3.562 9.680 9.901 106 HG2 GLU 18 1HG GLU 18 3.738 7.828 11.212 107 HG3 GLU 18 2HG GLU 18 4.640 6.919 10.001 108 H LYS 19 H LYS 19 1.397 9.221 9.601 109 HA LYS 19 HA LYS 19 -0.100 10.337 7.431 110 HB2 LYS 19 1HB LYS 19 -0.859 9.418 9.803 111 HB3 LYS 19 2HB LYS 19 -0.651 11.103 10.262 112 HG2 LYS 19 1HG LYS 19 -2.885 10.994 9.690 113 HG3 LYS 19 2HG LYS 19 -2.137 11.609 8.215 114 HD2 LYS 19 1HD LYS 19 -3.311 9.959 7.227 115 HD3 LYS 19 2HD LYS 19 -1.984 8.938 7.786 116 HE2 LYS 19 1HE LYS 19 -4.179 7.985 8.337 117 HE3 LYS 19 2HE LYS 19 -3.237 8.357 9.780 118 HZ1 LYS 19 1HZ LYS 19 -4.991 9.493 10.479 119 HZ2 LYS 19 2HZ LYS 19 -5.777 9.357 8.988 120 HZ3 LYS 19 3HZ LYS 19 -4.694 10.627 9.259 121 H GLY 20 H GLY 20 -0.798 12.618 7.368 122 HA2 GLY 20 1HA GLY 20 1.273 14.455 8.389 123 HA3 GLY 20 2HA GLY 20 0.755 14.524 6.711 124 H ALA 21 H ALA 21 0.042 16.656 6.890 125 HA ALA 21 HA ALA 21 -1.679 17.636 8.874 126 HB1 ALA 21 1HB ALA 21 -0.768 18.522 6.222 127 HB2 ALA 21 2HB ALA 21 -2.314 19.186 6.752 128 HB3 ALA 21 3HB ALA 21 -0.874 19.407 7.745 129 H LYS 22 H LYS 22 -2.468 16.569 5.560 130 HA LYS 22 HA LYS 22 -5.241 16.144 6.459 131 HB2 LYS 22 1HB LYS 22 -4.079 16.988 3.827 132 HB3 LYS 22 2HB LYS 22 -5.643 16.184 3.876 133 HG2 LYS 22 1HG LYS 22 -5.177 18.523 5.656 134 HG3 LYS 22 2HG LYS 22 -5.462 18.795 3.935 135 HD2 LYS 22 1HD LYS 22 -7.583 17.710 4.038 136 HD3 LYS 22 2HD LYS 22 -7.272 17.130 5.676 137 HE2 LYS 22 1HE LYS 22 -8.595 18.933 6.144 138 HE3 LYS 22 2HE LYS 22 -7.012 19.709 6.166 139 HZ1 LYS 22 1HZ LYS 22 -7.353 20.568 4.009 140 HZ2 LYS 22 2HZ LYS 22 -8.774 20.890 4.867 141 HZ3 LYS 22 3HZ LYS 22 -8.730 19.618 3.752 142 H GLY 23 H GLY 23 -3.027 14.265 6.780 143 HA2 GLY 23 1HA GLY 23 -3.492 11.872 6.787 144 HA3 GLY 23 2HA GLY 23 -4.134 12.057 5.162 145 H PHE 24 H PHE 24 -2.598 10.195 4.868 146 HA PHE 24 HA PHE 24 0.182 10.508 4.988 147 HB2 PHE 24 1HB PHE 24 -1.549 8.745 3.251 148 HB3 PHE 24 2HB PHE 24 0.208 8.641 3.279 149 HD1 PHE 24 1HD PHE 24 1.373 7.900 5.317 150 HD2 PHE 24 2HD PHE 24 -2.872 7.853 5.012 151 HE1 PHE 24 1HE PHE 24 1.254 6.384 7.251 152 HE2 PHE 24 2HE PHE 24 -2.998 6.338 6.946 153 HZ PHE 24 HZ PHE 24 -0.933 5.602 8.069 154 H GLY 25 H GLY 25 -2.107 11.876 2.866 155 HA2 GLY 25 1HA GLY 25 -1.832 13.394 1.156 156 HA3 GLY 25 2HA GLY 25 -0.105 13.366 1.484 157 H PHE 26 H PHE 26 -2.233 10.690 0.549 158 HA PHE 26 HA PHE 26 -1.136 10.634 -2.130 159 HB2 PHE 26 1HB PHE 26 0.087 8.685 -2.002 160 HB3 PHE 26 2HB PHE 26 0.404 9.358 -0.406 161 HD1 PHE 26 2HD PHE 26 -2.088 7.161 -2.105 162 HD2 PHE 26 1HD PHE 26 0.191 7.963 1.399 163 HE1 PHE 26 2HE PHE 26 -2.961 5.106 -1.071 164 HE2 PHE 26 1HE PHE 26 -0.678 5.909 2.439 165 HZ PHE 26 HZ PHE 26 -2.257 4.478 1.204 166 H SER 27 H SER 27 -2.449 9.603 -3.572 167 HA SER 27 HA SER 27 -4.894 8.387 -2.464 168 HB2 SER 27 1HB SER 27 -5.234 10.559 -3.652 169 HB3 SER 27 2HB SER 27 -4.605 9.811 -5.120 170 HG SER 27 HG SER 27 -6.804 9.622 -5.202 171 H ILE 28 H ILE 28 -5.997 6.911 -4.122 172 HA ILE 28 HA ILE 28 -4.021 5.381 -5.664 173 HB ILE 28 HB ILE 28 -5.592 3.367 -4.804 174 HG12 ILE 28 1HG1 ILE 28 -5.211 4.945 -2.282 175 HG13 ILE 28 2HG1 ILE 28 -6.659 5.184 -3.253 176 HG21 ILE 28 1HG2 ILE 28 -3.735 2.601 -3.663 177 HG22 ILE 28 2HG2 ILE 28 -3.029 3.793 -4.754 178 HG23 ILE 28 3HG2 ILE 28 -3.313 4.205 -3.063 179 HD11 ILE 28 1HD1 ILE 28 -6.941 2.646 -3.106 180 HD12 ILE 28 2HD1 ILE 28 -5.758 2.730 -1.801 181 HD13 ILE 28 3HD1 ILE 28 -7.282 3.607 -1.667 182 H ARG 29 H ARG 29 -5.161 3.702 -7.071 183 HA ARG 29 HA ARG 29 -7.848 4.488 -7.885 184 HB2 ARG 29 1HB ARG 29 -7.314 4.979 -10.121 185 HB3 ARG 29 2HB ARG 29 -6.104 5.839 -9.179 186 HG2 ARG 29 1HG ARG 29 -4.411 4.361 -9.771 187 HG3 ARG 29 2HG ARG 29 -5.550 3.105 -10.260 188 HD2 ARG 29 1HD ARG 29 -4.779 3.932 -12.288 189 HD3 ARG 29 2HD ARG 29 -6.298 4.797 -12.056 190 HE ARG 29 HE ARG 29 -3.950 6.167 -11.076 191 HH11 ARG 29 2HH1 ARG 29 -6.112 5.661 -13.757 192 HH12 ARG 29 1HH1 ARG 29 -5.720 7.163 -14.526 193 HH21 ARG 29 2HH2 ARG 29 -3.425 8.148 -12.078 194 HH22 ARG 29 1HH2 ARG 29 -4.191 8.577 -13.570 195 H GLY 30 H GLY 30 -8.602 3.005 -9.740 196 HA2 GLY 30 1HA GLY 30 -9.022 0.884 -10.516 197 HA3 GLY 30 2HA GLY 30 -7.351 0.497 -10.133 198 H GLY 31 H GLY 31 -8.594 -1.598 -9.671 199 HA2 GLY 31 1HA GLY 31 -8.392 -2.613 -7.301 200 HA3 GLY 31 2HA GLY 31 -9.757 -1.557 -6.969 201 H ARG 32 H ARG 32 -10.230 -4.081 -6.439 202 HA ARG 32 HA ARG 32 -11.008 -5.800 -8.485 203 HB2 ARG 32 1HB ARG 32 -11.757 -5.489 -5.614 204 HB3 ARG 32 2HB ARG 32 -12.732 -6.554 -6.618 205 HG2 ARG 32 1HG ARG 32 -9.765 -6.768 -6.154 206 HG3 ARG 32 2HG ARG 32 -11.015 -7.805 -5.462 207 HD2 ARG 32 1HD ARG 32 -10.394 -9.107 -7.225 208 HD3 ARG 32 2HD ARG 32 -11.636 -8.134 -8.013 209 HE ARG 32 HE ARG 32 -9.270 -6.764 -8.354 210 HH11 ARG 32 2HH1 ARG 32 -10.534 -9.895 -9.199 211 HH12 ARG 32 1HH1 ARG 32 -9.577 -10.038 -10.636 212 HH21 ARG 32 2HH2 ARG 32 -8.005 -6.940 -10.244 213 HH22 ARG 32 1HH2 ARG 32 -8.138 -8.357 -11.229 214 H GLU 33 H GLU 33 -12.365 -2.839 -7.553 215 HA GLU 33 HA GLU 33 -15.076 -3.379 -8.303 216 HB2 GLU 33 1HB GLU 33 -14.074 -1.489 -6.772 217 HB3 GLU 33 2HB GLU 33 -13.927 -0.617 -8.292 218 HG2 GLU 33 1HG GLU 33 -16.323 -0.885 -8.680 219 HG3 GLU 33 2HG GLU 33 -16.470 -1.755 -7.155 220 H TYR 34 H TYR 34 -12.218 -2.146 -9.913 221 HA TYR 34 HA TYR 34 -13.770 -1.855 -12.397 222 HB2 TYR 34 1HB TYR 34 -11.000 -0.758 -12.016 223 HB3 TYR 34 2HB TYR 34 -12.253 -0.232 -13.135 224 HD1 TYR 34 1HD TYR 34 -14.229 1.032 -12.251 225 HD2 TYR 34 2HD TYR 34 -10.823 0.179 -9.848 226 HE1 TYR 34 1HE TYR 34 -14.914 2.785 -10.668 227 HE2 TYR 34 2HE TYR 34 -11.499 1.930 -8.258 228 HH TYR 34 HH TYR 34 -14.508 3.756 -8.705 229 H LYS 35 H LYS 35 -12.297 -4.219 -10.997 230 HA LYS 35 HA LYS 35 -11.132 -6.072 -11.621 231 HB2 LYS 35 1HB LYS 35 -11.852 -5.213 -14.428 232 HB3 LYS 35 2HB LYS 35 -11.417 -6.835 -13.904 233 HG2 LYS 35 1HG LYS 35 -13.683 -7.034 -13.984 234 HG3 LYS 35 2HG LYS 35 -13.483 -6.517 -12.308 235 HD2 LYS 35 1HD LYS 35 -14.107 -4.292 -12.823 236 HD3 LYS 35 2HD LYS 35 -13.969 -4.580 -14.559 237 HE2 LYS 35 1HE LYS 35 -15.900 -6.187 -12.946 238 HE3 LYS 35 2HE LYS 35 -16.315 -4.535 -13.401 239 HZ1 LYS 35 1HZ LYS 35 -15.480 -5.490 -15.734 240 HZ2 LYS 35 2HZ LYS 35 -17.093 -5.557 -15.230 241 HZ3 LYS 35 3HZ LYS 35 -16.095 -6.912 -15.053 242 H MET 36 H MET 36 -9.472 -4.032 -11.044 243 HA MET 36 HA MET 36 -7.200 -4.618 -12.736 244 HB2 MET 36 1HB MET 36 -6.631 -2.254 -13.121 245 HB3 MET 36 2HB MET 36 -8.149 -2.697 -13.892 246 HG2 MET 36 1HG MET 36 -9.229 -1.770 -11.730 247 HG3 MET 36 2HG MET 36 -7.676 -0.969 -11.506 248 HE1 MET 36 1HE MET 36 -7.007 0.895 -12.246 249 HE2 MET 36 2HE MET 36 -7.509 1.854 -13.638 250 HE3 MET 36 3HE MET 36 -8.443 1.915 -12.142 251 H ASP 37 H ASP 37 -5.168 -3.778 -11.815 252 HA ASP 37 HA ASP 37 -5.050 -4.246 -9.026 253 HB2 ASP 37 1HB ASP 37 -2.883 -2.896 -10.628 254 HB3 ASP 37 2HB ASP 37 -2.711 -3.934 -9.216 255 H LEU 38 H LEU 38 -3.836 -2.661 -7.551 256 HA LEU 38 HA LEU 38 -5.244 -0.098 -7.697 257 HB2 LEU 38 1HB LEU 38 -3.853 -1.525 -5.441 258 HB3 LEU 38 2HB LEU 38 -4.493 0.111 -5.306 259 HG LEU 38 HG LEU 38 -6.334 -2.069 -6.162 260 HD11 LEU 38 1HD1 LEU 38 -4.817 -2.232 -3.780 261 HD12 LEU 38 2HD1 LEU 38 -6.167 -3.244 -4.293 262 HD13 LEU 38 3HD1 LEU 38 -6.466 -1.794 -3.335 263 HD21 LEU 38 1HD2 LEU 38 -6.861 0.436 -5.989 264 HD22 LEU 38 2HD2 LEU 38 -6.830 0.184 -4.243 265 HD23 LEU 38 3HD2 LEU 38 -7.985 -0.700 -5.241 266 H TYR 39 H TYR 39 -4.192 1.607 -8.448 267 HA TYR 39 HA TYR 39 -1.268 1.726 -8.093 268 HB2 TYR 39 1HB TYR 39 -2.783 3.148 -10.274 269 HB3 TYR 39 2HB TYR 39 -1.055 2.832 -10.176 270 HD1 TYR 39 1HD TYR 39 -4.329 1.072 -10.458 271 HD2 TYR 39 2HD TYR 39 -0.156 0.994 -11.281 272 HE1 TYR 39 1HE TYR 39 -4.636 -0.975 -11.787 273 HE2 TYR 39 2HE TYR 39 -0.450 -1.053 -12.613 274 HH TYR 39 HH TYR 39 -3.241 -2.082 -13.811 275 H VAL 40 H VAL 40 -0.424 4.030 -8.170 276 HA VAL 40 HA VAL 40 -1.846 5.563 -6.180 277 HB VAL 40 HB VAL 40 0.722 6.269 -7.604 278 HG11 VAL 40 1HG1 VAL 40 -0.089 8.214 -6.581 279 HG12 VAL 40 2HG1 VAL 40 -0.663 7.335 -5.163 280 HG13 VAL 40 3HG1 VAL 40 1.067 7.555 -5.424 281 HG21 VAL 40 1HG2 VAL 40 1.253 5.422 -4.984 282 HG22 VAL 40 2HG2 VAL 40 0.169 4.214 -5.675 283 HG23 VAL 40 3HG2 VAL 40 1.685 4.605 -6.486 284 H LEU 41 H LEU 41 -3.494 6.799 -6.806 285 HA LEU 41 HA LEU 41 -3.914 7.779 -9.401 286 HB2 LEU 41 1HB LEU 41 -5.617 7.480 -7.563 287 HB3 LEU 41 2HB LEU 41 -5.015 8.986 -6.873 288 HG LEU 41 HG LEU 41 -7.051 9.393 -8.105 289 HD11 LEU 41 1HD1 LEU 41 -6.352 11.257 -9.281 290 HD12 LEU 41 2HD1 LEU 41 -4.896 10.462 -9.881 291 HD13 LEU 41 3HD1 LEU 41 -4.994 10.965 -8.193 292 HD21 LEU 41 1HD2 LEU 41 -5.797 7.615 -10.033 293 HD22 LEU 41 2HD2 LEU 41 -6.439 9.081 -10.776 294 HD23 LEU 41 3HD2 LEU 41 -7.496 8.040 -9.821 295 H ARG 42 H ARG 42 -3.015 9.617 -6.474 296 HA ARG 42 HA ARG 42 -1.166 11.234 -7.981 297 HB2 ARG 42 1HB ARG 42 -2.874 12.643 -8.587 298 HB3 ARG 42 2HB ARG 42 -3.847 12.244 -7.178 299 HG2 ARG 42 1HG ARG 42 -1.317 13.771 -6.804 300 HG3 ARG 42 2HG ARG 42 -2.747 14.600 -7.424 301 HD2 ARG 42 1HD ARG 42 -2.895 12.894 -4.964 302 HD3 ARG 42 2HD ARG 42 -2.334 14.563 -4.876 303 HE ARG 42 HE ARG 42 -4.842 14.257 -6.245 304 HH11 ARG 42 2HH1 ARG 42 -3.297 14.654 -3.151 305 HH12 ARG 42 1HH1 ARG 42 -4.696 15.341 -2.394 306 HH21 ARG 42 2HH2 ARG 42 -6.691 15.160 -5.260 307 HH22 ARG 42 1HH2 ARG 42 -6.627 15.627 -3.594 308 H LEU 43 H LEU 43 0.202 12.498 -6.657 309 HA LEU 43 HA LEU 43 0.154 11.685 -3.834 310 HB2 LEU 43 1HB LEU 43 2.306 12.267 -5.786 311 HB3 LEU 43 2HB LEU 43 2.604 12.704 -4.105 312 HG LEU 43 HG LEU 43 1.913 9.936 -5.091 313 HD11 LEU 43 1HD1 LEU 43 4.337 9.576 -4.235 314 HD12 LEU 43 2HD1 LEU 43 4.502 11.309 -4.511 315 HD13 LEU 43 3HD1 LEU 43 4.071 10.241 -5.847 316 HD21 LEU 43 1HD2 LEU 43 2.571 11.046 -2.373 317 HD22 LEU 43 2HD2 LEU 43 2.695 9.331 -2.766 318 HD23 LEU 43 3HD2 LEU 43 1.135 10.150 -2.868 319 H ALA 44 H ALA 44 0.598 13.213 -2.194 320 HA ALA 44 HA ALA 44 -0.388 15.871 -2.815 321 HB1 ALA 44 1HB ALA 44 0.201 14.431 -0.246 322 HB2 ALA 44 2HB ALA 44 -0.205 16.147 -0.292 323 HB3 ALA 44 3HB ALA 44 -1.359 14.951 -0.884 324 H GLU 45 H GLU 45 0.937 17.465 -3.357 325 HA GLU 45 HA GLU 45 3.742 17.311 -3.207 326 HB2 GLU 45 1HB GLU 45 3.743 19.635 -3.924 327 HB3 GLU 45 2HB GLU 45 2.545 18.721 -4.831 328 HG2 GLU 45 1HG GLU 45 0.823 19.587 -3.216 329 HG3 GLU 45 2HG GLU 45 2.070 20.666 -2.592 330 H ASP 46 H ASP 46 1.394 18.198 -0.885 331 HA ASP 46 HA ASP 46 3.502 19.301 0.855 332 HB2 ASP 46 1HB ASP 46 1.669 20.906 0.203 333 HB3 ASP 46 2HB ASP 46 0.544 19.872 1.078 334 H GLY 47 H GLY 47 2.498 16.488 0.380 335 HA2 GLY 47 1HA GLY 47 1.568 15.892 3.116 336 HA3 GLY 47 2HA GLY 47 1.298 14.860 1.719 337 HA PRO 48 HA PRO 48 5.151 13.617 4.196 338 HB2 PRO 48 1HB PRO 48 4.168 11.331 5.282 339 HB3 PRO 48 2HB PRO 48 4.055 12.903 6.084 340 HG2 PRO 48 1HG PRO 48 1.989 11.437 4.488 341 HG3 PRO 48 2HG PRO 48 1.804 12.319 6.016 342 HD2 PRO 48 1HD PRO 48 1.099 13.380 3.626 343 HD3 PRO 48 2HD PRO 48 1.715 14.369 4.966 344 H ALA 49 H ALA 49 2.821 11.971 2.169 345 HA ALA 49 HA ALA 49 4.344 9.702 1.502 346 HB1 ALA 49 1HB ALA 49 1.916 9.967 1.065 347 HB2 ALA 49 2HB ALA 49 2.311 11.091 -0.237 348 HB3 ALA 49 3HB ALA 49 2.828 9.408 -0.338 349 H ILE 50 H ILE 50 3.746 12.563 -0.549 350 HA ILE 50 HA ILE 50 5.590 12.056 -2.517 351 HB ILE 50 HB ILE 50 3.896 14.023 -2.245 352 HG12 ILE 50 1HG1 ILE 50 6.499 14.734 -3.573 353 HG13 ILE 50 2HG1 ILE 50 5.499 13.422 -4.186 354 HG21 ILE 50 1HG2 ILE 50 4.858 16.128 -1.594 355 HG22 ILE 50 2HG2 ILE 50 5.064 14.975 -0.276 356 HG23 ILE 50 3HG2 ILE 50 6.428 15.371 -1.321 357 HD11 ILE 50 1HD1 ILE 50 5.159 16.305 -4.413 358 HD12 ILE 50 2HD1 ILE 50 4.531 15.000 -5.420 359 HD13 ILE 50 3HD1 ILE 50 3.693 15.450 -3.936 360 H ARG 51 H ARG 51 6.171 13.044 0.740 361 HA ARG 51 HA ARG 51 8.868 13.955 0.252 362 HB2 ARG 51 1HB ARG 51 7.296 13.460 2.781 363 HB3 ARG 51 2HB ARG 51 8.970 13.998 2.779 364 HG2 ARG 51 1HG ARG 51 8.367 16.034 1.649 365 HG3 ARG 51 2HG ARG 51 6.700 15.481 1.473 366 HD2 ARG 51 1HD ARG 51 6.730 16.986 3.305 367 HD3 ARG 51 2HD ARG 51 6.587 15.364 3.982 368 HE ARG 51 HE ARG 51 9.280 15.913 3.941 369 HH11 ARG 51 2HH1 ARG 51 6.441 17.339 5.364 370 HH12 ARG 51 1HH1 ARG 51 7.289 17.976 6.735 371 HH21 ARG 51 2HH2 ARG 51 10.408 16.746 5.740 372 HH22 ARG 51 1HH2 ARG 51 9.545 17.639 6.947 373 H ASN 52 H ASN 52 7.266 11.012 1.215 374 HA ASN 52 HA ASN 52 9.417 9.635 2.352 375 HB2 ASN 52 1HB ASN 52 7.543 8.399 2.687 376 HB3 ASN 52 2HB ASN 52 6.810 8.915 1.170 377 HD21 ASN 52 1HD2 ASN 52 6.451 7.292 -0.139 378 HD22 ASN 52 2HD2 ASN 52 7.447 5.894 -0.336 379 H GLY 53 H GLY 53 8.178 9.332 -0.987 380 HA2 GLY 53 1HA GLY 53 9.576 9.390 -2.915 381 HA3 GLY 53 2HA GLY 53 10.944 8.961 -1.900 382 H ARG 54 H ARG 54 10.241 6.738 -0.624 383 HA ARG 54 HA ARG 54 10.764 4.644 -2.183 384 HB2 ARG 54 1HB ARG 54 8.867 4.805 0.145 385 HB3 ARG 54 2HB ARG 54 9.197 3.274 -0.654 386 HG2 ARG 54 1HG ARG 54 11.677 3.851 -0.238 387 HG3 ARG 54 2HG ARG 54 11.042 5.006 0.935 388 HD2 ARG 54 1HD ARG 54 9.844 3.190 2.064 389 HD3 ARG 54 2HD ARG 54 10.493 2.041 0.895 390 HE ARG 54 HE ARG 54 12.527 2.115 1.979 391 HH11 ARG 54 2HH1 ARG 54 10.425 4.603 3.209 392 HH12 ARG 54 1HH1 ARG 54 11.447 4.982 4.556 393 HH21 ARG 54 2HH2 ARG 54 13.881 2.606 3.747 394 HH22 ARG 54 1HH2 ARG 54 13.413 3.846 4.860 395 H MET 55 H MET 55 7.678 6.284 -2.049 396 HA MET 55 HA MET 55 6.766 4.621 -4.300 397 HB2 MET 55 1HB MET 55 4.553 4.537 -3.457 398 HB3 MET 55 2HB MET 55 5.599 4.109 -2.109 399 HG2 MET 55 1HG MET 55 5.262 6.150 -1.040 400 HG3 MET 55 2HG MET 55 4.657 6.921 -2.505 401 HE1 MET 55 1HE MET 55 1.853 7.439 -2.475 402 HE2 MET 55 2HE MET 55 2.620 6.380 -3.659 403 HE3 MET 55 3HE MET 55 1.111 5.892 -2.886 404 H ARG 56 H ARG 56 5.657 5.670 -5.933 405 HA ARG 56 HA ARG 56 5.323 8.577 -5.675 406 HB2 ARG 56 1HB ARG 56 6.994 7.089 -7.634 407 HB3 ARG 56 2HB ARG 56 6.082 8.466 -8.236 408 HG2 ARG 56 1HG ARG 56 8.170 9.337 -7.672 409 HG3 ARG 56 2HG ARG 56 7.126 9.782 -6.321 410 HD2 ARG 56 1HD ARG 56 8.148 8.340 -4.875 411 HD3 ARG 56 2HD ARG 56 8.593 7.207 -6.151 412 HE ARG 56 HE ARG 56 10.587 8.297 -6.353 413 HH11 ARG 56 2HH1 ARG 56 8.333 10.383 -4.714 414 HH12 ARG 56 1HH1 ARG 56 9.514 11.603 -4.368 415 HH21 ARG 56 2HH2 ARG 56 12.151 9.896 -5.903 416 HH22 ARG 56 1HH2 ARG 56 11.685 11.325 -5.045 417 H VAL 57 H VAL 57 4.322 9.256 -8.045 418 HA VAL 57 HA VAL 57 1.754 7.907 -8.061 419 HB VAL 57 HB VAL 57 2.712 10.337 -9.581 420 HG11 VAL 57 1HG1 VAL 57 -0.112 10.225 -9.388 421 HG12 VAL 57 2HG1 VAL 57 0.891 10.170 -10.839 422 HG13 VAL 57 3HG1 VAL 57 0.445 8.674 -10.018 423 HG21 VAL 57 1HG2 VAL 57 0.712 10.313 -7.350 424 HG22 VAL 57 2HG2 VAL 57 2.441 10.389 -7.015 425 HG23 VAL 57 3HG2 VAL 57 1.672 11.656 -7.969 426 H GLY 58 H GLY 58 0.885 6.754 -9.734 427 HA2 GLY 58 1HA GLY 58 0.769 5.964 -11.965 428 HA3 GLY 58 2HA GLY 58 2.427 6.492 -12.211 429 H ASP 59 H ASP 59 2.943 5.143 -9.463 430 HA ASP 59 HA ASP 59 4.043 2.765 -10.489 431 HB2 ASP 59 1HB ASP 59 3.424 3.465 -7.611 432 HB3 ASP 59 2HB ASP 59 4.516 2.192 -8.151 433 H GLN 60 H GLN 60 3.523 0.635 -9.090 434 HA GLN 60 HA GLN 60 0.617 0.197 -9.284 435 HB2 GLN 60 1HB GLN 60 2.115 -0.836 -11.115 436 HB3 GLN 60 2HB GLN 60 2.643 -1.949 -9.860 437 HG2 GLN 60 1HG GLN 60 -0.274 -1.599 -10.298 438 HG3 GLN 60 2HG GLN 60 0.651 -2.529 -11.476 439 HE21 GLN 60 1HE2 GLN 60 -0.967 -2.605 -8.544 440 HE22 GLN 60 2HE2 GLN 60 -0.434 -4.154 -7.993 441 H ILE 61 H ILE 61 -0.276 -0.391 -7.430 442 HA ILE 61 HA ILE 61 1.433 -1.400 -5.281 443 HB ILE 61 HB ILE 61 -1.469 -0.637 -5.032 444 HG12 ILE 61 1HG1 ILE 61 0.786 1.232 -4.370 445 HG13 ILE 61 2HG1 ILE 61 0.138 1.171 -6.006 446 HG21 ILE 61 1HG2 ILE 61 -0.750 -1.830 -3.139 447 HG22 ILE 61 2HG2 ILE 61 0.806 -1.003 -3.106 448 HG23 ILE 61 3HG2 ILE 61 -0.664 -0.131 -2.672 449 HD11 ILE 61 1HD1 ILE 61 -1.585 1.640 -3.594 450 HD12 ILE 61 2HD1 ILE 61 -0.809 2.944 -4.495 451 HD13 ILE 61 3HD1 ILE 61 -1.985 1.899 -5.292 452 H ILE 62 H ILE 62 1.364 -3.439 -4.579 453 HA ILE 62 HA ILE 62 -0.781 -5.179 -5.610 454 HB ILE 62 HB ILE 62 1.116 -6.965 -4.960 455 HG12 ILE 62 1HG1 ILE 62 2.648 -5.033 -4.338 456 HG13 ILE 62 2HG1 ILE 62 3.311 -6.209 -5.468 457 HG21 ILE 62 1HG2 ILE 62 0.025 -5.862 -7.314 458 HG22 ILE 62 2HG2 ILE 62 1.760 -6.027 -7.577 459 HG23 ILE 62 3HG2 ILE 62 0.802 -7.431 -7.106 460 HD11 ILE 62 1HD1 ILE 62 3.540 -4.689 -7.079 461 HD12 ILE 62 2HD1 ILE 62 1.958 -3.977 -6.764 462 HD13 ILE 62 3HD1 ILE 62 3.348 -3.504 -5.788 463 H GLU 63 H GLU 63 0.662 -3.869 -2.837 464 HA GLU 63 HA GLU 63 -0.969 -5.618 -1.148 465 HB2 GLU 63 1HB GLU 63 1.618 -6.171 -1.268 466 HB3 GLU 63 2HB GLU 63 1.725 -4.830 -0.136 467 HG2 GLU 63 1HG GLU 63 0.147 -5.979 1.351 468 HG3 GLU 63 2HG GLU 63 0.095 -7.334 0.226 469 H ILE 64 H ILE 64 -1.631 -4.683 0.830 470 HA ILE 64 HA ILE 64 -0.950 -1.897 1.328 471 HB ILE 64 HB ILE 64 -3.739 -2.818 0.660 472 HG12 ILE 64 1HG1 ILE 64 -2.065 -0.504 -0.341 473 HG13 ILE 64 2HG1 ILE 64 -2.309 -2.024 -1.195 474 HG21 ILE 64 1HG2 ILE 64 -2.935 -0.913 2.649 475 HG22 ILE 64 2HG2 ILE 64 -3.806 -0.102 1.349 476 HG23 ILE 64 3HG2 ILE 64 -4.555 -1.449 2.205 477 HD11 ILE 64 1HD1 ILE 64 -4.775 -0.649 -0.420 478 HD12 ILE 64 2HD1 ILE 64 -3.770 0.216 -1.583 479 HD13 ILE 64 3HD1 ILE 64 -4.327 -1.419 -1.942 480 H ASN 65 H ASN 65 -0.347 -1.971 3.390 481 HA ASN 65 HA ASN 65 -0.343 -2.359 5.631 482 HB2 ASN 65 1HB ASN 65 -3.242 -2.304 4.938 483 HB3 ASN 65 2HB ASN 65 -2.793 -2.883 6.540 484 HD21 ASN 65 1HD2 ASN 65 -4.275 -0.521 5.880 485 HD22 ASN 65 2HD2 ASN 65 -3.374 0.825 6.482 486 H GLY 66 H GLY 66 -0.059 -4.604 3.700 487 HA2 GLY 66 1HA GLY 66 0.502 -6.832 4.008 488 HA3 GLY 66 2HA GLY 66 -0.115 -6.726 5.650 489 H GLU 67 H GLU 67 -1.868 -5.954 2.684 490 HA GLU 67 HA GLU 67 -3.618 -8.266 3.208 491 HB2 GLU 67 1HB GLU 67 -4.384 -5.466 2.378 492 HB3 GLU 67 2HB GLU 67 -5.484 -6.836 2.291 493 HG2 GLU 67 1HG GLU 67 -4.124 -6.109 4.855 494 HG3 GLU 67 2HG GLU 67 -5.596 -5.291 4.335 495 H SER 68 H SER 68 -4.745 -9.112 1.339 496 HA SER 68 HA SER 68 -3.031 -9.151 -0.985 497 HB2 SER 68 1HB SER 68 -5.336 -10.749 0.006 498 HB3 SER 68 2HB SER 68 -5.067 -10.722 -1.736 499 HG SER 68 HG SER 68 -3.927 -12.358 -0.278 500 H THR 69 H THR 69 -3.428 -6.845 -1.470 501 HA THR 69 HA THR 69 -5.718 -5.570 -2.103 502 HB THR 69 HB THR 69 -4.531 -4.258 -3.748 503 HG1 THR 69 1HG THR 69 -2.404 -4.987 -4.414 504 HG21 THR 69 1HG2 THR 69 -3.353 -4.961 -1.180 505 HG22 THR 69 2HG2 THR 69 -3.586 -3.377 -1.919 506 HG23 THR 69 3HG2 THR 69 -2.164 -4.338 -2.323 507 H ARG 70 H ARG 70 -4.320 -8.238 -3.848 508 HA ARG 70 HA ARG 70 -5.525 -8.044 -6.319 509 HB2 ARG 70 1HB ARG 70 -5.505 -10.579 -6.293 510 HB3 ARG 70 2HB ARG 70 -3.965 -9.792 -5.973 511 HG2 ARG 70 1HG ARG 70 -4.451 -10.096 -3.520 512 HG3 ARG 70 2HG ARG 70 -5.802 -11.123 -4.004 513 HD2 ARG 70 1HD ARG 70 -2.957 -11.577 -4.882 514 HD3 ARG 70 2HD ARG 70 -3.671 -12.337 -3.460 515 HE ARG 70 HE ARG 70 -5.135 -12.729 -5.921 516 HH11 ARG 70 2HH1 ARG 70 -2.683 -13.948 -3.771 517 HH12 ARG 70 1HH1 ARG 70 -2.814 -15.581 -4.336 518 HH21 ARG 70 2HH2 ARG 70 -5.316 -14.875 -6.674 519 HH22 ARG 70 1HH2 ARG 70 -4.312 -16.106 -5.988 520 H ASP 71 H ASP 71 -6.878 -9.356 -3.319 521 HA ASP 71 HA ASP 71 -9.501 -9.545 -4.636 522 HB2 ASP 71 1HB ASP 71 -8.297 -10.933 -2.260 523 HB3 ASP 71 2HB ASP 71 -10.046 -10.844 -2.447 524 H MET 72 H MET 72 -8.889 -7.006 -4.170 525 HA MET 72 HA MET 72 -10.722 -6.286 -2.023 526 HB2 MET 72 1HB MET 72 -8.119 -4.803 -2.230 527 HB3 MET 72 2HB MET 72 -9.276 -4.818 -0.906 528 HG2 MET 72 1HG MET 72 -8.630 -7.352 -0.781 529 HG3 MET 72 2HG MET 72 -7.179 -6.802 -1.617 530 HE1 MET 72 1HE MET 72 -6.593 -4.246 -0.901 531 HE2 MET 72 2HE MET 72 -7.482 -3.582 0.470 532 HE3 MET 72 3HE MET 72 -5.806 -4.096 0.670 533 H THR 73 H THR 73 -11.798 -4.349 -2.352 534 HA THR 73 HA THR 73 -11.662 -3.333 -5.079 535 HB THR 73 HB THR 73 -13.733 -2.042 -4.378 536 HG1 THR 73 1HG THR 73 -13.050 -2.596 -2.010 537 HG21 THR 73 1HG2 THR 73 -15.174 -3.898 -4.702 538 HG22 THR 73 2HG2 THR 73 -13.999 -5.021 -4.017 539 HG23 THR 73 3HG2 THR 73 -13.693 -4.271 -5.583 540 H HIS 74 H HIS 74 -11.714 -1.026 -5.507 541 HA HIS 74 HA HIS 74 -9.635 0.398 -4.427 542 HB2 HIS 74 1HB HIS 74 -10.962 0.923 -6.528 543 HB3 HIS 74 2HB HIS 74 -12.139 1.713 -5.483 544 HD1 HIS 74 1HD HIS 74 -11.455 3.870 -6.944 545 HD2 HIS 74 2HD HIS 74 -8.559 2.405 -4.350 546 HE1 HIS 74 1HE HIS 74 -9.779 5.728 -6.688 547 HE2 HIS 74 2HE HIS 74 -7.992 4.787 -5.182 548 H ALA 75 H ALA 75 -12.930 0.169 -3.272 549 HA ALA 75 HA ALA 75 -12.877 2.336 -1.467 550 HB1 ALA 75 1HB ALA 75 -14.819 1.295 -0.433 551 HB2 ALA 75 2HB ALA 75 -14.950 1.256 -2.192 552 HB3 ALA 75 3HB ALA 75 -14.498 -0.202 -1.309 553 H ARG 76 H ARG 76 -12.292 -1.141 -0.964 554 HA ARG 76 HA ARG 76 -11.790 -1.104 1.756 555 HB2 ARG 76 1HB ARG 76 -11.973 -3.206 0.659 556 HB3 ARG 76 2HB ARG 76 -10.655 -2.827 -0.441 557 HG2 ARG 76 1HG ARG 76 -9.934 -4.423 1.222 558 HG3 ARG 76 2HG ARG 76 -9.080 -2.894 1.435 559 HD2 ARG 76 1HD ARG 76 -10.112 -2.434 3.413 560 HD3 ARG 76 2HD ARG 76 -11.594 -3.275 2.958 561 HE ARG 76 HE ARG 76 -9.364 -5.036 3.354 562 HH11 ARG 76 2HH1 ARG 76 -11.949 -3.312 4.925 563 HH12 ARG 76 1HH1 ARG 76 -12.019 -4.390 6.280 564 HH21 ARG 76 2HH2 ARG 76 -9.447 -6.462 5.133 565 HH22 ARG 76 1HH2 ARG 76 -10.595 -6.180 6.398 566 H ALA 77 H ALA 77 -9.291 -1.067 -0.794 567 HA ALA 77 HA ALA 77 -7.069 -0.626 0.726 568 HB1 ALA 77 1HB ALA 77 -7.796 0.307 -2.024 569 HB2 ALA 77 2HB ALA 77 -6.242 0.733 -1.306 570 HB3 ALA 77 3HB ALA 77 -6.672 -0.962 -1.537 571 H ILE 78 H ILE 78 -9.593 1.652 -0.051 572 HA ILE 78 HA ILE 78 -8.136 3.974 0.800 573 HB ILE 78 HB ILE 78 -11.085 3.560 0.302 574 HG12 ILE 78 1HG1 ILE 78 -9.269 3.471 -1.587 575 HG13 ILE 78 2HG1 ILE 78 -10.745 4.397 -1.833 576 HG21 ILE 78 1HG2 ILE 78 -11.270 6.000 0.343 577 HG22 ILE 78 2HG2 ILE 78 -10.739 5.365 1.899 578 HG23 ILE 78 3HG2 ILE 78 -9.575 6.120 0.811 579 HD11 ILE 78 1HD1 ILE 78 -8.519 5.459 -2.498 580 HD12 ILE 78 2HD1 ILE 78 -9.653 6.431 -1.559 581 HD13 ILE 78 3HD1 ILE 78 -8.264 5.686 -0.768 582 H GLU 79 H GLU 79 -10.278 1.651 2.289 583 HA GLU 79 HA GLU 79 -10.591 3.219 4.703 584 HB2 GLU 79 1HB GLU 79 -12.198 1.719 5.321 585 HB3 GLU 79 2HB GLU 79 -12.224 1.446 3.585 586 HG2 GLU 79 1HG GLU 79 -10.856 -0.510 3.813 587 HG3 GLU 79 2HG GLU 79 -10.626 -0.198 5.532 588 H LEU 80 H LEU 80 -8.470 0.802 3.468 589 HA LEU 80 HA LEU 80 -7.547 -0.219 5.961 590 HB2 LEU 80 1HB LEU 80 -6.332 -0.228 3.206 591 HB3 LEU 80 2HB LEU 80 -5.626 -1.058 4.591 592 HG LEU 80 HG LEU 80 -8.272 -1.669 3.278 593 HD11 LEU 80 1HD1 LEU 80 -6.582 -2.551 1.923 594 HD12 LEU 80 2HD1 LEU 80 -7.074 -3.898 2.949 595 HD13 LEU 80 3HD1 LEU 80 -5.591 -3.015 3.306 596 HD21 LEU 80 1HD2 LEU 80 -8.433 -1.985 5.682 597 HD22 LEU 80 2HD2 LEU 80 -6.953 -2.944 5.673 598 HD23 LEU 80 3HD2 LEU 80 -8.398 -3.542 4.855 599 H ILE 81 H ILE 81 -6.431 2.323 3.773 600 HA ILE 81 HA ILE 81 -4.017 2.928 5.052 601 HB ILE 81 HB ILE 81 -5.817 4.890 3.630 602 HG12 ILE 81 1HG1 ILE 81 -3.546 3.441 2.318 603 HG13 ILE 81 2HG1 ILE 81 -5.113 2.651 2.454 604 HG21 ILE 81 1HG2 ILE 81 -3.613 5.967 3.082 605 HG22 ILE 81 2HG2 ILE 81 -4.090 6.046 4.777 606 HG23 ILE 81 3HG2 ILE 81 -2.874 4.880 4.257 607 HD11 ILE 81 1HD1 ILE 81 -4.416 4.122 0.358 608 HD12 ILE 81 2HD1 ILE 81 -6.081 4.010 0.930 609 HD13 ILE 81 3HD1 ILE 81 -5.088 5.399 1.371 610 H LYS 82 H LYS 82 -7.311 3.815 5.801 611 HA LYS 82 HA LYS 82 -6.417 5.646 7.901 612 HB2 LYS 82 1HB LYS 82 -9.037 5.852 8.127 613 HB3 LYS 82 2HB LYS 82 -8.170 6.692 6.848 614 HG2 LYS 82 1HG LYS 82 -8.750 4.936 5.273 615 HG3 LYS 82 2HG LYS 82 -9.577 4.045 6.553 616 HD2 LYS 82 1HD LYS 82 -11.256 5.195 5.332 617 HD3 LYS 82 2HD LYS 82 -11.051 6.069 6.852 618 HE2 LYS 82 1HE LYS 82 -9.656 7.718 5.732 619 HE3 LYS 82 2HE LYS 82 -9.789 6.826 4.217 620 HZ1 LYS 82 1HZ LYS 82 -11.680 8.611 5.480 621 HZ2 LYS 82 2HZ LYS 82 -12.363 7.193 4.859 622 HZ3 LYS 82 3HZ LYS 82 -11.482 8.222 3.845 623 H SER 83 H SER 83 -7.358 2.423 7.473 624 HA SER 83 HA SER 83 -8.494 2.053 10.101 625 HB2 SER 83 1HB SER 83 -9.308 0.641 8.313 626 HB3 SER 83 2HB SER 83 -7.674 0.079 7.957 627 HG SER 83 HG SER 83 -8.301 -1.481 9.256 628 H GLY 84 H GLY 84 -5.382 1.678 8.547 629 HA2 GLY 84 1HA GLY 84 -4.167 0.116 10.593 630 HA3 GLY 84 2HA GLY 84 -3.325 1.030 9.350 631 H GLY 85 H GLY 85 -4.299 3.601 9.960 632 HA2 GLY 85 1HA GLY 85 -4.442 4.840 12.193 633 HA3 GLY 85 2HA GLY 85 -2.910 4.044 12.523 634 H ARG 86 H ARG 86 -1.334 5.494 12.415 635 HA ARG 86 HA ARG 86 -1.496 7.646 10.438 636 HB2 ARG 86 1HB ARG 86 -0.163 7.293 13.057 637 HB3 ARG 86 2HB ARG 86 0.722 8.234 11.864 638 HG2 ARG 86 1HG ARG 86 -0.797 9.936 11.871 639 HG3 ARG 86 2HG ARG 86 -2.139 8.884 12.326 640 HD2 ARG 86 1HD ARG 86 0.072 9.261 14.276 641 HD3 ARG 86 2HD ARG 86 -1.053 10.596 14.033 642 HE ARG 86 HE ARG 86 -1.581 8.105 15.360 643 HH11 ARG 86 2HH1 ARG 86 -2.993 10.775 13.627 644 HH12 ARG 86 1HH1 ARG 86 -4.563 10.571 14.332 645 HH21 ARG 86 2HH2 ARG 86 -3.643 7.827 16.294 646 HH22 ARG 86 1HH2 ARG 86 -4.932 8.895 15.849 647 H ARG 87 H ARG 87 0.167 4.714 11.105 648 HA ARG 87 HA ARG 87 2.176 5.328 9.044 649 HB2 ARG 87 1HB ARG 87 2.263 3.067 11.043 650 HB3 ARG 87 2HB ARG 87 3.566 3.624 10.001 651 HG2 ARG 87 1HG ARG 87 3.895 5.569 11.260 652 HG3 ARG 87 2HG ARG 87 2.340 5.405 12.077 653 HD2 ARG 87 1HD ARG 87 4.460 3.311 12.377 654 HD3 ARG 87 2HD ARG 87 4.503 4.780 13.350 655 HE ARG 87 HE ARG 87 1.962 3.813 13.653 656 HH11 ARG 87 2HH1 ARG 87 5.171 2.567 14.175 657 HH12 ARG 87 1HH1 ARG 87 4.697 1.527 15.477 658 HH21 ARG 87 2HH2 ARG 87 1.326 2.447 15.366 659 HH22 ARG 87 1HH2 ARG 87 2.509 1.459 16.153 660 H VAL 88 H VAL 88 1.927 4.418 7.120 661 HA VAL 88 HA VAL 88 0.385 1.912 6.934 662 HB VAL 88 HB VAL 88 -0.924 3.785 6.041 663 HG11 VAL 88 1HG1 VAL 88 -0.210 5.207 4.350 664 HG12 VAL 88 2HG1 VAL 88 1.228 5.043 5.359 665 HG13 VAL 88 3HG1 VAL 88 1.094 4.128 3.856 666 HG21 VAL 88 1HG2 VAL 88 -1.475 2.809 3.908 667 HG22 VAL 88 2HG2 VAL 88 0.093 2.005 3.827 668 HG23 VAL 88 3HG2 VAL 88 -1.086 1.518 5.045 669 H ARG 89 H ARG 89 1.115 0.354 5.518 670 HA ARG 89 HA ARG 89 3.578 0.922 4.026 671 HB2 ARG 89 1HB ARG 89 4.432 -0.095 5.985 672 HB3 ARG 89 2HB ARG 89 3.139 -1.286 6.025 673 HG2 ARG 89 1HG ARG 89 4.116 -2.102 3.787 674 HG3 ARG 89 2HG ARG 89 5.547 -1.181 4.256 675 HD2 ARG 89 1HD ARG 89 4.287 -3.162 6.121 676 HD3 ARG 89 2HD ARG 89 5.431 -3.675 4.881 677 HE ARG 89 HE ARG 89 6.706 -1.643 6.172 678 HH11 ARG 89 2HH1 ARG 89 5.235 -4.636 7.167 679 HH12 ARG 89 1HH1 ARG 89 6.302 -4.865 8.513 680 HH21 ARG 89 2HH2 ARG 89 8.118 -1.932 7.940 681 HH22 ARG 89 1HH2 ARG 89 7.941 -3.326 8.952 682 H LEU 90 H LEU 90 3.176 0.484 1.968 683 HA LEU 90 HA LEU 90 1.561 -1.893 1.325 684 HB2 LEU 90 1HB LEU 90 1.088 -0.408 -0.827 685 HB3 LEU 90 2HB LEU 90 0.074 -0.348 0.613 686 HG LEU 90 HG LEU 90 2.331 1.568 0.481 687 HD11 LEU 90 1HD1 LEU 90 0.321 1.367 -1.602 688 HD12 LEU 90 2HD1 LEU 90 1.778 2.358 -1.525 689 HD13 LEU 90 3HD1 LEU 90 0.285 2.926 -0.778 690 HD21 LEU 90 1HD2 LEU 90 -0.097 1.185 1.935 691 HD22 LEU 90 2HD2 LEU 90 -0.154 2.745 1.114 692 HD23 LEU 90 3HD2 LEU 90 1.183 2.368 2.202 693 H LEU 91 H LEU 91 2.134 -3.035 -0.556 694 HA LEU 91 HA LEU 91 4.944 -2.800 -1.240 695 HB2 LEU 91 1HB LEU 91 3.615 -4.964 -0.742 696 HB3 LEU 91 2HB LEU 91 3.051 -4.808 -2.405 697 HG LEU 91 HG LEU 91 5.931 -5.089 -1.547 698 HD11 LEU 91 1HD1 LEU 91 4.974 -7.184 -1.190 699 HD12 LEU 91 2HD1 LEU 91 5.632 -7.292 -2.822 700 HD13 LEU 91 3HD1 LEU 91 3.903 -7.038 -2.584 701 HD21 LEU 91 1HD2 LEU 91 6.411 -5.311 -3.909 702 HD22 LEU 91 2HD2 LEU 91 5.622 -3.764 -3.599 703 HD23 LEU 91 3HD2 LEU 91 4.705 -5.097 -4.303 704 H LEU 92 H LEU 92 5.531 -1.469 -2.815 705 HA LEU 92 HA LEU 92 3.799 -1.257 -5.190 706 HB2 LEU 92 1HB LEU 92 4.035 0.795 -3.710 707 HB3 LEU 92 2HB LEU 92 5.712 0.862 -4.247 708 HG LEU 92 HG LEU 92 4.714 0.940 -6.626 709 HD11 LEU 92 1HD1 LEU 92 2.517 1.301 -6.935 710 HD12 LEU 92 2HD1 LEU 92 2.361 2.275 -5.473 711 HD13 LEU 92 3HD1 LEU 92 2.366 0.515 -5.363 712 HD21 LEU 92 1HD2 LEU 92 5.506 3.000 -6.417 713 HD22 LEU 92 2HD2 LEU 92 5.287 2.941 -4.668 714 HD23 LEU 92 3HD2 LEU 92 3.971 3.496 -5.704 715 H LYS 93 H LYS 93 4.916 -0.820 -7.219 716 HA LYS 93 HA LYS 93 7.513 -2.189 -7.301 717 HB2 LYS 93 1HB LYS 93 5.744 -1.617 -9.670 718 HB3 LYS 93 2HB LYS 93 7.032 -2.807 -9.536 719 HG2 LYS 93 1HG LYS 93 4.767 -3.100 -7.665 720 HG3 LYS 93 2HG LYS 93 4.441 -3.426 -9.369 721 HD2 LYS 93 1HD LYS 93 6.881 -4.621 -8.161 722 HD3 LYS 93 2HD LYS 93 5.316 -5.312 -7.723 723 HE2 LYS 93 1HE LYS 93 5.875 -4.804 -10.599 724 HE3 LYS 93 2HE LYS 93 6.686 -6.164 -9.823 725 HZ1 LYS 93 1HZ LYS 93 4.522 -7.010 -9.142 726 HZ2 LYS 93 2HZ LYS 93 4.607 -6.851 -10.824 727 HZ3 LYS 93 3HZ LYS 93 3.752 -5.714 -9.910 728 H ARG 94 H ARG 94 9.306 -1.121 -7.840 729 HA ARG 94 HA ARG 94 9.038 1.662 -8.728 730 HB2 ARG 94 1HB ARG 94 10.366 0.988 -6.633 731 HB3 ARG 94 2HB ARG 94 11.570 0.362 -7.751 732 HG2 ARG 94 1HG ARG 94 10.630 3.151 -8.135 733 HG3 ARG 94 2HG ARG 94 11.706 2.809 -6.779 734 HD2 ARG 94 1HD ARG 94 12.273 2.037 -9.636 735 HD3 ARG 94 2HD ARG 94 12.875 3.505 -8.868 736 HE ARG 94 HE ARG 94 13.837 0.818 -8.478 737 HH11 ARG 94 2HH1 ARG 94 13.644 4.031 -7.150 738 HH12 ARG 94 1HH1 ARG 94 15.042 3.841 -6.146 739 HH21 ARG 94 2HH2 ARG 94 15.680 0.556 -7.160 740 HH22 ARG 94 1HH2 ARG 94 16.200 1.864 -6.153 741 H GLY 95 H GLY 95 9.429 2.154 -10.779 742 HA2 GLY 95 1HA GLY 95 10.725 0.175 -12.494 743 HA3 GLY 95 2HA GLY 95 9.826 1.586 -13.031 744 H THR 96 H THR 96 12.870 0.543 -11.571 745 HA THR 96 HA THR 96 14.149 3.083 -11.925 746 HB THR 96 HB THR 96 14.934 1.638 -10.155 747 HG1 THR 96 1HG THR 96 17.219 1.492 -10.889 748 HG21 THR 96 1HG2 THR 96 14.891 -0.367 -12.267 749 HG22 THR 96 2HG2 THR 96 14.845 -0.571 -10.516 750 HG23 THR 96 3HG2 THR 96 16.392 -0.385 -11.343 751 H GLY 97 H GLY 97 13.408 0.517 -14.002 752 HA2 GLY 97 1HA GLY 97 15.459 1.439 -15.921 753 HA3 GLY 97 2HA GLY 97 14.916 -0.229 -15.831 754 H SER 98 H SER 98 14.461 2.768 -17.305 755 HA SER 98 HA SER 98 11.743 2.162 -18.184 756 HB2 SER 98 1HB SER 98 13.505 4.585 -18.315 757 HB3 SER 98 2HB SER 98 12.147 4.437 -19.430 758 HG SER 98 HG SER 98 11.016 3.876 -17.267 759 H GLY 99 H GLY 99 13.706 0.364 -19.066 760 HA2 GLY 99 1HA GLY 99 13.404 -0.551 -21.373 761 HA3 GLY 99 2HA GLY 99 13.884 1.043 -21.937 762 HA PRO 100 HA PRO 100 17.557 -1.939 -21.069 763 HB2 PRO 100 1HB PRO 100 17.844 -3.110 -23.501 764 HB3 PRO 100 2HB PRO 100 16.869 -3.813 -22.205 765 HG2 PRO 100 1HG PRO 100 15.994 -2.213 -24.579 766 HG3 PRO 100 2HG PRO 100 15.270 -3.677 -23.888 767 HD2 PRO 100 1HD PRO 100 14.281 -1.200 -23.419 768 HD3 PRO 100 2HD PRO 100 14.192 -2.507 -22.220 769 H SER 101 H SER 101 19.607 -2.039 -22.585 770 HA SER 101 HA SER 101 20.345 0.650 -23.105 771 HB2 SER 101 1HB SER 101 22.053 -0.845 -22.359 772 HB3 SER 101 2HB SER 101 21.719 -1.982 -23.665 773 HG SER 101 HG SER 101 23.221 0.328 -23.670 774 H SER 102 H SER 102 20.019 -2.152 -25.288 775 HA SER 102 HA SER 102 20.465 -0.839 -27.685 776 HB2 SER 102 1HB SER 102 18.909 -3.290 -26.938 777 HB3 SER 102 2HB SER 102 18.831 -2.684 -28.593 778 HG SER 102 HG SER 102 21.192 -3.371 -27.172 779 H GLY 103 H GLY 103 19.512 1.074 -28.109 780 HA2 GLY 103 1HA GLY 103 16.576 1.064 -28.323 781 HA3 GLY 103 2HA GLY 103 17.382 2.381 -27.483 Start of MODEL 13 1 H1 GLY 1 H GLY 1 14.667 -21.589 -20.573 2 HA2 GLY 1 1HA GLY 1 12.881 -22.430 -18.474 3 HA3 GLY 1 2HA GLY 1 13.128 -20.690 -18.520 4 H SER 2 H SER 2 12.054 -19.487 -19.996 5 HA SER 2 HA SER 2 10.373 -18.964 -21.446 6 HB2 SER 2 1HB SER 2 11.927 -21.100 -22.870 7 HB3 SER 2 2HB SER 2 10.469 -20.438 -23.609 8 HG SER 2 HG SER 2 11.925 -19.043 -24.310 9 H SER 3 H SER 3 9.599 -20.667 -19.329 10 HA SER 3 HA SER 3 8.044 -22.860 -20.229 11 HB2 SER 3 1HB SER 3 7.042 -22.805 -17.977 12 HB3 SER 3 2HB SER 3 8.799 -22.675 -17.903 13 HG SER 3 HG SER 3 8.221 -20.263 -17.957 14 H GLY 4 H GLY 4 7.274 -19.478 -19.508 15 HA2 GLY 4 1HA GLY 4 5.004 -19.591 -21.289 16 HA3 GLY 4 2HA GLY 4 4.569 -19.398 -19.598 17 H SER 5 H SER 5 3.726 -17.348 -19.799 18 HA SER 5 HA SER 5 5.494 -15.244 -20.819 19 HB2 SER 5 1HB SER 5 3.518 -13.826 -20.870 20 HB3 SER 5 2HB SER 5 3.163 -15.352 -21.680 21 HG SER 5 HG SER 5 2.388 -15.952 -19.421 22 H SER 6 H SER 6 6.287 -16.347 -18.412 23 HA SER 6 HA SER 6 5.483 -15.487 -16.017 24 HB2 SER 6 1HB SER 6 7.739 -16.599 -16.749 25 HB3 SER 6 2HB SER 6 8.354 -14.947 -16.702 26 HG SER 6 HG SER 6 8.009 -16.598 -14.676 27 H GLY 7 H GLY 7 5.608 -13.646 -14.715 28 HA2 GLY 7 1HA GLY 7 5.636 -11.139 -16.229 29 HA3 GLY 7 2HA GLY 7 4.951 -11.372 -14.627 30 H GLN 8 H GLN 8 7.147 -9.613 -16.022 31 HA GLN 8 HA GLN 8 9.261 -10.058 -14.030 32 HB2 GLN 8 1HB GLN 8 9.217 -8.863 -16.764 33 HB3 GLN 8 2HB GLN 8 10.412 -8.275 -15.615 34 HG2 GLN 8 1HG GLN 8 10.054 -11.129 -16.501 35 HG3 GLN 8 2HG GLN 8 11.332 -10.028 -17.011 36 HE21 GLN 8 1HE2 GLN 8 12.817 -9.270 -15.376 37 HE22 GLN 8 2HE2 GLN 8 13.180 -10.280 -14.022 38 H ASP 9 H ASP 9 9.144 -8.837 -12.278 39 HA ASP 9 HA ASP 9 7.869 -6.196 -12.462 40 HB2 ASP 9 1HB ASP 9 7.596 -6.337 -10.031 41 HB3 ASP 9 2HB ASP 9 6.889 -7.743 -10.824 42 H PHE 10 H PHE 10 8.852 -4.366 -11.550 43 HA PHE 10 HA PHE 10 11.593 -4.095 -11.980 44 HB2 PHE 10 1HB PHE 10 10.185 -2.299 -10.042 45 HB3 PHE 10 2HB PHE 10 11.356 -1.891 -11.292 46 HD1 PHE 10 2HD PHE 10 10.325 -2.888 -13.724 47 HD2 PHE 10 1HD PHE 10 8.185 -1.258 -10.426 48 HE1 PHE 10 2HE PHE 10 8.490 -2.252 -15.234 49 HE2 PHE 10 1HE PHE 10 6.346 -0.620 -11.931 50 HZ PHE 10 HZ PHE 10 6.497 -1.115 -14.339 51 H ASP 11 H ASP 11 9.911 -4.044 -8.833 52 HA ASP 11 HA ASP 11 11.711 -5.792 -7.560 53 HB2 ASP 11 1HB ASP 11 12.357 -2.880 -7.448 54 HB3 ASP 11 2HB ASP 11 12.597 -3.844 -5.993 55 H TYR 12 H TYR 12 10.370 -6.703 -6.162 56 HA TYR 12 HA TYR 12 8.031 -5.422 -5.182 57 HB2 TYR 12 1HB TYR 12 9.386 -8.039 -4.588 58 HB3 TYR 12 2HB TYR 12 7.994 -7.510 -3.649 59 HD1 TYR 12 1HD TYR 12 6.268 -6.290 -5.654 60 HD2 TYR 12 2HD TYR 12 8.663 -9.797 -5.916 61 HE1 TYR 12 1HE TYR 12 4.761 -7.182 -7.380 62 HE2 TYR 12 2HE TYR 12 7.163 -10.699 -7.644 63 HH TYR 12 HH TYR 12 4.839 -10.419 -8.393 64 H PHE 13 H PHE 13 8.875 -3.525 -4.177 65 HA PHE 13 HA PHE 13 10.239 -3.997 -1.613 66 HB2 PHE 13 1HB PHE 13 11.124 -1.808 -1.732 67 HB3 PHE 13 2HB PHE 13 11.287 -2.457 -3.361 68 HD1 PHE 13 2HD PHE 13 9.403 -0.129 -1.231 69 HD2 PHE 13 1HD PHE 13 10.097 -1.516 -5.195 70 HE1 PHE 13 2HE PHE 13 8.171 1.806 -2.120 71 HE2 PHE 13 1HE PHE 13 8.867 0.418 -6.090 72 HZ PHE 13 HZ PHE 13 7.901 2.082 -4.552 73 H THR 14 H THR 14 9.568 -2.724 0.229 74 HA THR 14 HA THR 14 6.667 -2.291 0.226 75 HB THR 14 HB THR 14 6.759 -2.486 2.646 76 HG1 THR 14 1HG THR 14 9.551 -2.470 2.184 77 HG21 THR 14 1HG2 THR 14 6.887 -4.535 1.024 78 HG22 THR 14 2HG2 THR 14 7.080 -4.772 2.761 79 HG23 THR 14 3HG2 THR 14 8.498 -4.732 1.713 80 H VAL 15 H VAL 15 5.767 -0.457 1.314 81 HA VAL 15 HA VAL 15 7.546 1.888 1.233 82 HB VAL 15 HB VAL 15 4.539 1.783 0.956 83 HG11 VAL 15 1HG1 VAL 15 4.643 3.918 1.603 84 HG12 VAL 15 2HG1 VAL 15 6.403 3.960 1.471 85 HG13 VAL 15 3HG1 VAL 15 5.403 4.229 0.043 86 HG21 VAL 15 1HG2 VAL 15 4.840 2.229 -1.355 87 HG22 VAL 15 2HG2 VAL 15 6.571 2.499 -1.148 88 HG23 VAL 15 3HG2 VAL 15 5.903 0.877 -0.962 89 H ASP 16 H ASP 16 7.587 3.338 2.919 90 HA ASP 16 HA ASP 16 5.955 2.730 5.281 91 HB2 ASP 16 1HB ASP 16 8.154 1.656 5.595 92 HB3 ASP 16 2HB ASP 16 8.942 3.211 5.340 93 H MET 17 H MET 17 4.746 4.515 5.436 94 HA MET 17 HA MET 17 6.127 7.077 5.719 95 HB2 MET 17 1HB MET 17 3.576 7.170 4.213 96 HB3 MET 17 2HB MET 17 5.009 8.177 4.062 97 HG2 MET 17 1HG MET 17 6.154 6.362 2.886 98 HG3 MET 17 2HG MET 17 4.704 5.369 3.024 99 HE1 MET 17 1HE MET 17 2.468 6.461 2.579 100 HE2 MET 17 2HE MET 17 2.374 8.122 1.994 101 HE3 MET 17 3HE MET 17 2.143 6.778 0.874 102 H GLU 18 H GLU 18 4.279 8.798 6.295 103 HA GLU 18 HA GLU 18 2.551 7.540 8.325 104 HB2 GLU 18 1HB GLU 18 4.461 9.806 8.543 105 HB3 GLU 18 2HB GLU 18 2.943 9.954 9.418 106 HG2 GLU 18 1HG GLU 18 3.436 8.244 10.850 107 HG3 GLU 18 2HG GLU 18 4.501 7.440 9.698 108 H LYS 19 H LYS 19 0.786 9.101 9.063 109 HA LYS 19 HA LYS 19 -0.711 9.882 6.755 110 HB2 LYS 19 1HB LYS 19 -1.615 8.926 8.954 111 HB3 LYS 19 2HB LYS 19 -1.411 10.545 9.610 112 HG2 LYS 19 1HG LYS 19 -3.068 11.441 8.261 113 HG3 LYS 19 2HG LYS 19 -2.977 10.114 7.100 114 HD2 LYS 19 1HD LYS 19 -3.834 9.606 9.924 115 HD3 LYS 19 2HD LYS 19 -4.984 10.230 8.739 116 HE2 LYS 19 1HE LYS 19 -3.322 7.846 8.059 117 HE3 LYS 19 2HE LYS 19 -4.719 7.651 9.116 118 HZ1 LYS 19 1HZ LYS 19 -5.796 7.406 7.178 119 HZ2 LYS 19 2HZ LYS 19 -4.614 8.212 6.275 120 HZ3 LYS 19 3HZ LYS 19 -5.769 9.097 7.137 121 H GLY 20 H GLY 20 -1.633 12.007 6.397 122 HA2 GLY 20 1HA GLY 20 -0.005 14.201 7.509 123 HA3 GLY 20 2HA GLY 20 -0.274 14.074 5.777 124 H ALA 21 H ALA 21 -1.778 15.403 5.046 125 HA ALA 21 HA ALA 21 -3.798 16.436 6.884 126 HB1 ALA 21 1HB ALA 21 -2.836 17.310 4.177 127 HB2 ALA 21 2HB ALA 21 -4.292 17.979 4.916 128 HB3 ALA 21 3HB ALA 21 -2.731 18.167 5.715 129 H LYS 22 H LYS 22 -3.711 15.180 3.544 130 HA LYS 22 HA LYS 22 -6.525 14.394 3.836 131 HB2 LYS 22 1HB LYS 22 -4.788 15.061 1.496 132 HB3 LYS 22 2HB LYS 22 -6.159 13.986 1.255 133 HG2 LYS 22 1HG LYS 22 -6.509 16.629 2.613 134 HG3 LYS 22 2HG LYS 22 -6.464 16.508 0.852 135 HD2 LYS 22 1HD LYS 22 -8.374 15.105 0.810 136 HD3 LYS 22 2HD LYS 22 -8.306 14.843 2.555 137 HE2 LYS 22 1HE LYS 22 -8.931 17.119 2.980 138 HE3 LYS 22 2HE LYS 22 -8.798 17.525 1.269 139 HZ1 LYS 22 1HZ LYS 22 -10.892 16.922 0.978 140 HZ2 LYS 22 2HZ LYS 22 -11.041 16.610 2.634 141 HZ3 LYS 22 3HZ LYS 22 -10.581 15.370 1.578 142 H GLY 23 H GLY 23 -4.326 12.899 5.032 143 HA2 GLY 23 1HA GLY 23 -4.127 10.604 5.422 144 HA3 GLY 23 2HA GLY 23 -5.013 10.299 3.936 145 H PHE 24 H PHE 24 -1.938 10.535 5.408 146 HA PHE 24 HA PHE 24 0.210 10.472 4.579 147 HB2 PHE 24 1HB PHE 24 -1.121 8.333 2.902 148 HB3 PHE 24 2HB PHE 24 0.604 8.457 3.231 149 HD1 PHE 24 2HD PHE 24 -2.689 7.753 4.712 150 HD2 PHE 24 1HD PHE 24 1.528 7.705 5.285 151 HE1 PHE 24 2HE PHE 24 -2.984 6.393 6.741 152 HE2 PHE 24 1HE PHE 24 1.240 6.344 7.315 153 HZ PHE 24 HZ PHE 24 -1.018 5.688 8.046 154 H GLY 25 H GLY 25 -1.562 12.368 3.178 155 HA2 GLY 25 1HA GLY 25 -1.758 13.466 1.129 156 HA3 GLY 25 2HA GLY 25 -0.016 13.532 1.354 157 H PHE 26 H PHE 26 -2.160 10.815 0.543 158 HA PHE 26 HA PHE 26 -1.108 10.697 -2.151 159 HB2 PHE 26 1HB PHE 26 0.130 8.775 -2.001 160 HB3 PHE 26 2HB PHE 26 0.413 9.411 -0.384 161 HD1 PHE 26 2HD PHE 26 -2.074 7.281 -2.177 162 HD2 PHE 26 1HD PHE 26 0.177 7.961 1.371 163 HE1 PHE 26 2HE PHE 26 -2.981 5.209 -1.209 164 HE2 PHE 26 1HE PHE 26 -0.726 5.889 2.345 165 HZ PHE 26 HZ PHE 26 -2.308 4.511 1.055 166 H SER 27 H SER 27 -2.470 9.685 -3.553 167 HA SER 27 HA SER 27 -4.908 8.510 -2.385 168 HB2 SER 27 1HB SER 27 -5.356 10.621 -3.543 169 HB3 SER 27 2HB SER 27 -4.584 9.999 -5.002 170 HG SER 27 HG SER 27 -6.991 9.140 -3.788 171 H ILE 28 H ILE 28 -6.059 7.025 -3.997 172 HA ILE 28 HA ILE 28 -4.117 5.429 -5.522 173 HB ILE 28 HB ILE 28 -5.771 3.480 -4.668 174 HG12 ILE 28 1HG1 ILE 28 -5.392 5.132 -2.183 175 HG13 ILE 28 2HG1 ILE 28 -6.843 5.297 -3.165 176 HG21 ILE 28 1HG2 ILE 28 -3.964 2.668 -3.470 177 HG22 ILE 28 2HG2 ILE 28 -3.201 3.801 -4.585 178 HG23 ILE 28 3HG2 ILE 28 -3.486 4.270 -2.909 179 HD11 ILE 28 1HD1 ILE 28 -7.046 2.749 -2.905 180 HD12 ILE 28 2HD1 ILE 28 -5.901 2.949 -1.579 181 HD13 ILE 28 3HD1 ILE 28 -7.456 3.778 -1.533 182 H ARG 29 H ARG 29 -5.294 3.773 -6.928 183 HA ARG 29 HA ARG 29 -7.951 4.594 -7.775 184 HB2 ARG 29 1HB ARG 29 -7.393 5.121 -10.006 185 HB3 ARG 29 2HB ARG 29 -6.226 5.994 -9.023 186 HG2 ARG 29 1HG ARG 29 -4.474 4.677 -9.680 187 HG3 ARG 29 2HG ARG 29 -5.506 3.288 -10.025 188 HD2 ARG 29 1HD ARG 29 -4.858 4.031 -12.136 189 HD3 ARG 29 2HD ARG 29 -6.463 4.728 -11.923 190 HE ARG 29 HE ARG 29 -4.790 6.669 -11.023 191 HH11 ARG 29 2HH1 ARG 29 -5.017 4.841 -13.977 192 HH12 ARG 29 1HH1 ARG 29 -4.369 6.108 -14.964 193 HH21 ARG 29 2HH2 ARG 29 -3.936 8.346 -12.312 194 HH22 ARG 29 1HH2 ARG 29 -3.753 8.101 -14.016 195 H GLY 30 H GLY 30 -8.686 3.152 -9.666 196 HA2 GLY 30 1HA GLY 30 -9.047 1.053 -10.536 197 HA3 GLY 30 2HA GLY 30 -7.405 0.644 -10.062 198 H GLY 31 H GLY 31 -8.406 -1.466 -9.586 199 HA2 GLY 31 1HA GLY 31 -8.446 -2.538 -7.305 200 HA3 GLY 31 2HA GLY 31 -9.783 -1.447 -6.973 201 H ARG 32 H ARG 32 -10.034 -4.189 -6.673 202 HA ARG 32 HA ARG 32 -10.906 -5.748 -8.719 203 HB2 ARG 32 1HB ARG 32 -11.763 -5.480 -5.875 204 HB3 ARG 32 2HB ARG 32 -12.726 -6.497 -6.938 205 HG2 ARG 32 1HG ARG 32 -9.764 -6.805 -6.500 206 HG3 ARG 32 2HG ARG 32 -11.010 -7.739 -5.670 207 HD2 ARG 32 1HD ARG 32 -10.526 -9.172 -7.381 208 HD3 ARG 32 2HD ARG 32 -11.805 -8.222 -8.137 209 HE ARG 32 HE ARG 32 -9.244 -7.088 -8.626 210 HH11 ARG 32 2HH1 ARG 32 -11.374 -9.664 -9.600 211 HH12 ARG 32 1HH1 ARG 32 -10.709 -9.787 -11.195 212 HH21 ARG 32 2HH2 ARG 32 -8.361 -7.240 -10.724 213 HH22 ARG 32 1HH2 ARG 32 -8.995 -8.408 -11.833 214 H GLU 33 H GLU 33 -12.469 -2.925 -7.437 215 HA GLU 33 HA GLU 33 -15.076 -3.333 -8.372 216 HB2 GLU 33 1HB GLU 33 -14.256 -1.508 -6.812 217 HB3 GLU 33 2HB GLU 33 -13.682 -0.661 -8.242 218 HG2 GLU 33 1HG GLU 33 -16.508 -1.311 -7.477 219 HG3 GLU 33 2HG GLU 33 -15.774 0.273 -7.721 220 H TYR 34 H TYR 34 -12.234 -1.948 -9.954 221 HA TYR 34 HA TYR 34 -13.754 -1.767 -12.462 222 HB2 TYR 34 1HB TYR 34 -10.999 -0.637 -12.046 223 HB3 TYR 34 2HB TYR 34 -12.226 -0.147 -13.209 224 HD1 TYR 34 1HD TYR 34 -14.217 1.138 -12.424 225 HD2 TYR 34 2HD TYR 34 -10.916 0.312 -9.870 226 HE1 TYR 34 1HE TYR 34 -14.966 2.912 -10.893 227 HE2 TYR 34 2HE TYR 34 -11.656 2.083 -8.332 228 HH TYR 34 HH TYR 34 -13.009 3.972 -8.214 229 H LYS 35 H LYS 35 -12.342 -4.137 -11.072 230 HA LYS 35 HA LYS 35 -11.160 -5.987 -11.674 231 HB2 LYS 35 1HB LYS 35 -11.900 -5.055 -14.455 232 HB3 LYS 35 2HB LYS 35 -11.314 -6.661 -14.042 233 HG2 LYS 35 1HG LYS 35 -13.783 -5.543 -12.769 234 HG3 LYS 35 2HG LYS 35 -13.835 -6.319 -14.354 235 HD2 LYS 35 1HD LYS 35 -12.505 -8.214 -13.099 236 HD3 LYS 35 2HD LYS 35 -13.259 -7.494 -11.675 237 HE2 LYS 35 1HE LYS 35 -15.463 -7.765 -12.728 238 HE3 LYS 35 2HE LYS 35 -14.693 -8.518 -14.124 239 HZ1 LYS 35 1HZ LYS 35 -15.364 -10.313 -12.863 240 HZ2 LYS 35 2HZ LYS 35 -14.996 -9.570 -11.389 241 HZ3 LYS 35 3HZ LYS 35 -13.751 -10.138 -12.383 242 H MET 36 H MET 36 -9.529 -3.901 -11.061 243 HA MET 36 HA MET 36 -7.201 -4.507 -12.677 244 HB2 MET 36 1HB MET 36 -6.621 -2.129 -13.020 245 HB3 MET 36 2HB MET 36 -8.088 -2.594 -13.872 246 HG2 MET 36 1HG MET 36 -9.295 -1.682 -11.768 247 HG3 MET 36 2HG MET 36 -7.768 -0.854 -11.470 248 HE1 MET 36 1HE MET 36 -7.518 1.932 -13.715 249 HE2 MET 36 2HE MET 36 -8.358 1.979 -12.166 250 HE3 MET 36 3HE MET 36 -6.944 0.944 -12.371 251 H ASP 37 H ASP 37 -5.197 -3.719 -11.689 252 HA ASP 37 HA ASP 37 -5.170 -4.162 -8.898 253 HB2 ASP 37 1HB ASP 37 -2.998 -2.951 -10.622 254 HB3 ASP 37 2HB ASP 37 -2.785 -3.662 -9.024 255 H LEU 38 H LEU 38 -3.982 -2.583 -7.395 256 HA LEU 38 HA LEU 38 -5.379 -0.020 -7.570 257 HB2 LEU 38 1HB LEU 38 -3.918 -1.342 -5.289 258 HB3 LEU 38 2HB LEU 38 -4.721 0.224 -5.194 259 HG LEU 38 HG LEU 38 -6.325 -2.146 -6.022 260 HD11 LEU 38 1HD1 LEU 38 -4.797 -2.455 -3.834 261 HD12 LEU 38 2HD1 LEU 38 -6.415 -3.137 -3.999 262 HD13 LEU 38 3HD1 LEU 38 -6.181 -1.624 -3.124 263 HD21 LEU 38 1HD2 LEU 38 -7.242 0.157 -6.003 264 HD22 LEU 38 2HD2 LEU 38 -6.943 0.228 -4.267 265 HD23 LEU 38 3HD2 LEU 38 -8.092 -0.942 -4.917 266 H TYR 39 H TYR 39 -4.345 1.705 -8.298 267 HA TYR 39 HA TYR 39 -1.414 1.817 -8.007 268 HB2 TYR 39 1HB TYR 39 -2.961 3.339 -10.092 269 HB3 TYR 39 2HB TYR 39 -1.245 2.946 -10.067 270 HD1 TYR 39 1HD TYR 39 -4.612 1.378 -10.340 271 HD2 TYR 39 2HD TYR 39 -0.458 1.068 -11.208 272 HE1 TYR 39 1HE TYR 39 -5.055 -0.608 -11.722 273 HE2 TYR 39 2HE TYR 39 -0.890 -0.918 -12.593 274 HH TYR 39 HH TYR 39 -2.483 -2.167 -13.575 275 H VAL 40 H VAL 40 -0.554 4.103 -8.006 276 HA VAL 40 HA VAL 40 -1.987 5.608 -5.986 277 HB VAL 40 HB VAL 40 0.656 6.304 -7.265 278 HG11 VAL 40 1HG1 VAL 40 0.872 7.928 -5.715 279 HG12 VAL 40 2HG1 VAL 40 -0.890 7.843 -5.677 280 HG13 VAL 40 3HG1 VAL 40 0.063 6.988 -4.462 281 HG21 VAL 40 1HG2 VAL 40 1.790 4.965 -5.777 282 HG22 VAL 40 2HG2 VAL 40 0.453 4.921 -4.628 283 HG23 VAL 40 3HG2 VAL 40 0.374 3.969 -6.111 284 H LEU 41 H LEU 41 -3.663 6.731 -6.829 285 HA LEU 41 HA LEU 41 -3.975 7.824 -9.313 286 HB2 LEU 41 1HB LEU 41 -5.624 7.732 -7.380 287 HB3 LEU 41 2HB LEU 41 -4.891 9.234 -6.821 288 HG LEU 41 HG LEU 41 -6.944 9.699 -8.008 289 HD11 LEU 41 1HD1 LEU 41 -4.573 10.465 -9.703 290 HD12 LEU 41 2HD1 LEU 41 -5.052 11.272 -8.210 291 HD13 LEU 41 3HD1 LEU 41 -6.123 11.301 -9.611 292 HD21 LEU 41 1HD2 LEU 41 -7.131 9.186 -10.422 293 HD22 LEU 41 2HD2 LEU 41 -7.099 7.744 -9.406 294 HD23 LEU 41 3HD2 LEU 41 -5.657 8.224 -10.302 295 H ARG 42 H ARG 42 -2.887 9.691 -6.470 296 HA ARG 42 HA ARG 42 -0.915 11.075 -8.058 297 HB2 ARG 42 1HB ARG 42 -1.833 13.176 -8.131 298 HB3 ARG 42 2HB ARG 42 -3.294 12.207 -8.274 299 HG2 ARG 42 1HG ARG 42 -2.238 13.463 -5.749 300 HG3 ARG 42 2HG ARG 42 -3.609 14.028 -6.706 301 HD2 ARG 42 1HD ARG 42 -4.457 11.562 -6.312 302 HD3 ARG 42 2HD ARG 42 -3.379 11.657 -4.920 303 HE ARG 42 HE ARG 42 -4.893 13.029 -3.904 304 HH11 ARG 42 2HH1 ARG 42 -5.537 12.990 -7.325 305 HH12 ARG 42 1HH1 ARG 42 -6.992 13.920 -7.194 306 HH21 ARG 42 2HH2 ARG 42 -6.808 14.254 -3.719 307 HH22 ARG 42 1HH2 ARG 42 -7.714 14.640 -5.142 308 H LEU 43 H LEU 43 0.294 12.693 -6.704 309 HA LEU 43 HA LEU 43 0.368 11.789 -3.901 310 HB2 LEU 43 1HB LEU 43 2.507 12.374 -5.878 311 HB3 LEU 43 2HB LEU 43 2.818 12.763 -4.187 312 HG LEU 43 HG LEU 43 2.262 10.054 -5.381 313 HD11 LEU 43 1HD1 LEU 43 4.635 11.456 -4.261 314 HD12 LEU 43 2HD1 LEU 43 4.508 10.384 -5.655 315 HD13 LEU 43 3HD1 LEU 43 4.487 9.715 -4.023 316 HD21 LEU 43 1HD2 LEU 43 1.855 11.048 -2.658 317 HD22 LEU 43 2HD2 LEU 43 2.876 9.613 -2.760 318 HD23 LEU 43 3HD2 LEU 43 1.247 9.587 -3.439 319 H ALA 44 H ALA 44 0.811 13.329 -2.283 320 HA ALA 44 HA ALA 44 -0.130 15.998 -2.942 321 HB1 ALA 44 1HB ALA 44 0.268 14.471 -0.408 322 HB2 ALA 44 2HB ALA 44 0.139 16.230 -0.360 323 HB3 ALA 44 3HB ALA 44 -1.179 15.266 -1.026 324 H GLU 45 H GLU 45 1.258 17.526 -3.520 325 HA GLU 45 HA GLU 45 4.028 17.359 -3.386 326 HB2 GLU 45 1HB GLU 45 4.089 19.608 -4.107 327 HB3 GLU 45 2HB GLU 45 2.615 18.938 -4.791 328 HG2 GLU 45 1HG GLU 45 1.820 20.918 -4.016 329 HG3 GLU 45 2HG GLU 45 1.546 19.910 -2.596 330 H ASP 46 H ASP 46 1.730 18.424 -1.007 331 HA ASP 46 HA ASP 46 3.948 19.181 0.780 332 HB2 ASP 46 1HB ASP 46 2.472 21.060 0.385 333 HB3 ASP 46 2HB ASP 46 1.062 20.085 0.792 334 H GLY 47 H GLY 47 2.874 16.480 0.241 335 HA2 GLY 47 1HA GLY 47 1.751 15.848 2.895 336 HA3 GLY 47 2HA GLY 47 1.543 14.857 1.459 337 HA PRO 48 HA PRO 48 5.176 13.421 4.146 338 HB2 PRO 48 1HB PRO 48 4.062 11.117 5.052 339 HB3 PRO 48 2HB PRO 48 3.920 12.655 5.911 340 HG2 PRO 48 1HG PRO 48 1.954 11.310 4.098 341 HG3 PRO 48 2HG PRO 48 1.671 12.131 5.644 342 HD2 PRO 48 1HD PRO 48 1.177 13.310 3.257 343 HD3 PRO 48 2HD PRO 48 1.707 14.226 4.683 344 H ALA 49 H ALA 49 2.979 11.930 1.869 345 HA ALA 49 HA ALA 49 4.555 9.671 1.221 346 HB1 ALA 49 1HB ALA 49 3.149 9.516 -0.785 347 HB2 ALA 49 2HB ALA 49 2.192 9.772 0.675 348 HB3 ALA 49 3HB ALA 49 2.486 11.113 -0.433 349 H ILE 50 H ILE 50 3.953 12.532 -0.825 350 HA ILE 50 HA ILE 50 5.890 12.139 -2.708 351 HB ILE 50 HB ILE 50 4.150 14.070 -2.436 352 HG12 ILE 50 1HG1 ILE 50 6.778 14.862 -3.664 353 HG13 ILE 50 2HG1 ILE 50 5.827 13.544 -4.339 354 HG21 ILE 50 1HG2 ILE 50 6.637 15.371 -1.334 355 HG22 ILE 50 2HG2 ILE 50 5.132 16.191 -1.750 356 HG23 ILE 50 3HG2 ILE 50 5.165 15.027 -0.426 357 HD11 ILE 50 1HD1 ILE 50 4.894 15.149 -5.575 358 HD12 ILE 50 2HD1 ILE 50 3.961 15.504 -4.121 359 HD13 ILE 50 3HD1 ILE 50 5.416 16.431 -4.483 360 H ARG 51 H ARG 51 6.334 13.023 0.597 361 HA ARG 51 HA ARG 51 9.060 13.938 0.202 362 HB2 ARG 51 1HB ARG 51 7.522 13.459 2.761 363 HB3 ARG 51 2HB ARG 51 9.082 14.260 2.630 364 HG2 ARG 51 1HG ARG 51 8.166 16.148 1.622 365 HG3 ARG 51 2HG ARG 51 6.683 15.303 1.175 366 HD2 ARG 51 1HD ARG 51 6.026 16.617 2.976 367 HD3 ARG 51 2HD ARG 51 6.324 15.042 3.710 368 HE ARG 51 HE ARG 51 8.664 16.618 3.814 369 HH11 ARG 51 2HH1 ARG 51 5.507 16.330 5.252 370 HH12 ARG 51 1HH1 ARG 51 5.985 17.038 6.759 371 HH21 ARG 51 2HH2 ARG 51 9.306 17.551 5.794 372 HH22 ARG 51 1HH2 ARG 51 8.146 17.733 7.066 373 H ASN 52 H ASN 52 7.357 11.060 1.178 374 HA ASN 52 HA ASN 52 9.435 9.690 2.463 375 HB2 ASN 52 1HB ASN 52 7.532 8.498 2.781 376 HB3 ASN 52 2HB ASN 52 6.851 8.982 1.231 377 HD21 ASN 52 1HD2 ASN 52 6.475 7.318 -0.021 378 HD22 ASN 52 2HD2 ASN 52 7.447 5.896 -0.155 379 H GLY 53 H GLY 53 8.308 9.281 -0.904 380 HA2 GLY 53 1HA GLY 53 9.791 9.245 -2.775 381 HA3 GLY 53 2HA GLY 53 11.097 8.790 -1.691 382 H ARG 54 H ARG 54 10.263 6.633 -0.393 383 HA ARG 54 HA ARG 54 10.749 4.481 -1.892 384 HB2 ARG 54 1HB ARG 54 8.833 4.784 0.402 385 HB3 ARG 54 2HB ARG 54 9.079 3.220 -0.362 386 HG2 ARG 54 1HG ARG 54 11.547 3.535 0.087 387 HG3 ARG 54 2HG ARG 54 11.087 4.900 1.105 388 HD2 ARG 54 1HD ARG 54 9.466 3.164 2.193 389 HD3 ARG 54 2HD ARG 54 10.569 1.984 1.486 390 HE ARG 54 HE ARG 54 11.063 3.673 3.749 391 HH11 ARG 54 2HH1 ARG 54 12.542 1.924 1.128 392 HH12 ARG 54 1HH1 ARG 54 14.068 1.753 1.930 393 HH21 ARG 54 2HH2 ARG 54 13.068 3.455 4.816 394 HH22 ARG 54 1HH2 ARG 54 14.366 2.624 4.028 395 H MET 55 H MET 55 7.736 6.250 -1.877 396 HA MET 55 HA MET 55 6.828 4.606 -4.137 397 HB2 MET 55 1HB MET 55 4.622 4.461 -3.325 398 HB3 MET 55 2HB MET 55 5.637 4.077 -1.941 399 HG2 MET 55 1HG MET 55 5.280 6.205 -0.973 400 HG3 MET 55 2HG MET 55 4.540 6.825 -2.447 401 HE1 MET 55 1HE MET 55 2.187 6.373 -3.239 402 HE2 MET 55 2HE MET 55 0.935 6.260 -2.002 403 HE3 MET 55 3HE MET 55 2.138 7.548 -1.924 404 H ARG 56 H ARG 56 5.719 5.692 -5.753 405 HA ARG 56 HA ARG 56 5.292 8.568 -5.431 406 HB2 ARG 56 1HB ARG 56 7.229 7.268 -7.270 407 HB3 ARG 56 2HB ARG 56 6.291 8.608 -7.917 408 HG2 ARG 56 1HG ARG 56 8.134 9.706 -7.128 409 HG3 ARG 56 2HG ARG 56 7.064 9.814 -5.729 410 HD2 ARG 56 1HD ARG 56 8.286 8.323 -4.506 411 HD3 ARG 56 2HD ARG 56 8.848 7.450 -5.932 412 HE ARG 56 HE ARG 56 10.103 9.718 -4.674 413 HH11 ARG 56 2HH1 ARG 56 9.800 7.839 -7.589 414 HH12 ARG 56 1HH1 ARG 56 11.339 8.327 -8.218 415 HH21 ARG 56 2HH2 ARG 56 12.130 10.368 -5.492 416 HH22 ARG 56 1HH2 ARG 56 12.664 9.765 -7.024 417 H VAL 57 H VAL 57 4.050 9.493 -7.281 418 HA VAL 57 HA VAL 57 1.758 7.897 -7.802 419 HB VAL 57 HB VAL 57 1.186 10.117 -7.701 420 HG11 VAL 57 1HG1 VAL 57 3.177 11.272 -7.571 421 HG12 VAL 57 2HG1 VAL 57 3.787 10.604 -9.086 422 HG13 VAL 57 3HG1 VAL 57 2.535 11.847 -9.109 423 HG21 VAL 57 1HG2 VAL 57 1.668 9.873 -10.664 424 HG22 VAL 57 2HG2 VAL 57 0.354 9.057 -9.816 425 HG23 VAL 57 3HG2 VAL 57 0.423 10.819 -9.849 426 H GLY 58 H GLY 58 1.204 6.699 -9.531 427 HA2 GLY 58 1HA GLY 58 1.242 6.253 -11.898 428 HA3 GLY 58 2HA GLY 58 2.885 6.876 -11.944 429 H ASP 59 H ASP 59 2.310 4.909 -9.254 430 HA ASP 59 HA ASP 59 3.786 2.719 -10.536 431 HB2 ASP 59 1HB ASP 59 3.466 3.512 -7.640 432 HB3 ASP 59 2HB ASP 59 4.225 2.006 -8.147 433 H GLN 60 H GLN 60 3.286 0.544 -9.221 434 HA GLN 60 HA GLN 60 0.358 0.219 -9.220 435 HB2 GLN 60 1HB GLN 60 1.723 -0.795 -11.177 436 HB3 GLN 60 2HB GLN 60 2.241 -1.989 -9.994 437 HG2 GLN 60 1HG GLN 60 -0.666 -1.465 -10.260 438 HG3 GLN 60 2HG GLN 60 0.140 -2.368 -11.542 439 HE21 GLN 60 1HE2 GLN 60 -0.828 -2.354 -8.211 440 HE22 GLN 60 2HE2 GLN 60 -0.540 -4.030 -7.907 441 H ILE 61 H ILE 61 -0.414 -0.359 -7.311 442 HA ILE 61 HA ILE 61 1.385 -1.510 -5.320 443 HB ILE 61 HB ILE 61 -1.478 -0.659 -4.908 444 HG12 ILE 61 1HG1 ILE 61 0.863 1.050 -4.152 445 HG13 ILE 61 2HG1 ILE 61 0.249 1.107 -5.800 446 HG21 ILE 61 1HG2 ILE 61 0.720 -0.742 -2.870 447 HG22 ILE 61 2HG2 ILE 61 -1.025 -0.724 -2.617 448 HG23 ILE 61 3HG2 ILE 61 -0.241 -2.171 -3.251 449 HD11 ILE 61 1HD1 ILE 61 -1.869 1.876 -5.071 450 HD12 ILE 61 2HD1 ILE 61 -1.473 1.558 -3.382 451 HD13 ILE 61 3HD1 ILE 61 -0.649 2.851 -4.252 452 H ILE 62 H ILE 62 1.411 -3.607 -4.878 453 HA ILE 62 HA ILE 62 -0.769 -5.288 -5.892 454 HB ILE 62 HB ILE 62 1.039 -7.100 -5.110 455 HG12 ILE 62 1HG1 ILE 62 2.514 -5.134 -4.347 456 HG13 ILE 62 2HG1 ILE 62 3.271 -6.391 -5.319 457 HG21 ILE 62 1HG2 ILE 62 0.320 -5.800 -7.576 458 HG22 ILE 62 2HG2 ILE 62 2.005 -6.319 -7.609 459 HG23 ILE 62 3HG2 ILE 62 0.728 -7.489 -7.275 460 HD11 ILE 62 1HD1 ILE 62 2.154 -4.150 -6.844 461 HD12 ILE 62 2HD1 ILE 62 3.508 -3.748 -5.786 462 HD13 ILE 62 3HD1 ILE 62 3.691 -4.996 -7.018 463 H GLU 63 H GLU 63 0.783 -4.235 -2.975 464 HA GLU 63 HA GLU 63 -1.170 -5.786 -1.425 465 HB2 GLU 63 1HB GLU 63 1.006 -6.939 -1.297 466 HB3 GLU 63 2HB GLU 63 1.748 -5.461 -0.701 467 HG2 GLU 63 1HG GLU 63 0.426 -5.548 1.306 468 HG3 GLU 63 2HG GLU 63 -0.467 -6.941 0.698 469 H ILE 64 H ILE 64 -1.656 -4.887 0.672 470 HA ILE 64 HA ILE 64 -0.762 -2.158 1.173 471 HB ILE 64 HB ILE 64 -3.669 -2.874 0.783 472 HG12 ILE 64 1HG1 ILE 64 -1.908 -0.856 -0.625 473 HG13 ILE 64 2HG1 ILE 64 -2.390 -2.414 -1.286 474 HG21 ILE 64 1HG2 ILE 64 -4.264 -0.728 1.562 475 HG22 ILE 64 2HG2 ILE 64 -3.148 -1.382 2.761 476 HG23 ILE 64 3HG2 ILE 64 -2.585 -0.189 1.590 477 HD11 ILE 64 1HD1 ILE 64 -4.517 -1.727 -1.713 478 HD12 ILE 64 2HD1 ILE 64 -4.517 -0.541 -0.407 479 HD13 ILE 64 3HD1 ILE 64 -3.656 -0.201 -1.908 480 H ASN 65 H ASN 65 -0.492 -1.795 3.283 481 HA ASN 65 HA ASN 65 -0.334 -2.246 5.515 482 HB2 ASN 65 1HB ASN 65 -3.266 -2.852 5.077 483 HB3 ASN 65 2HB ASN 65 -2.517 -2.591 6.649 484 HD21 ASN 65 1HD2 ASN 65 -3.603 -0.776 7.210 485 HD22 ASN 65 2HD2 ASN 65 -3.462 0.729 6.375 486 H GLY 66 H GLY 66 0.542 -4.379 3.953 487 HA2 GLY 66 1HA GLY 66 1.180 -6.569 4.226 488 HA3 GLY 66 2HA GLY 66 0.493 -6.489 5.841 489 H GLU 67 H GLU 67 -1.434 -5.812 3.017 490 HA GLU 67 HA GLU 67 -2.709 -8.452 3.263 491 HB2 GLU 67 1HB GLU 67 -4.147 -5.809 2.962 492 HB3 GLU 67 2HB GLU 67 -4.908 -7.394 2.973 493 HG2 GLU 67 1HG GLU 67 -3.235 -6.532 5.288 494 HG3 GLU 67 2HG GLU 67 -4.889 -5.945 5.123 495 H SER 68 H SER 68 -2.977 -9.487 1.393 496 HA SER 68 HA SER 68 -1.925 -8.520 -1.014 497 HB2 SER 68 1HB SER 68 -2.412 -10.959 -0.259 498 HB3 SER 68 2HB SER 68 -4.014 -10.682 -0.943 499 HG SER 68 HG SER 68 -1.510 -10.706 -2.238 500 H THR 69 H THR 69 -2.716 -7.226 -2.533 501 HA THR 69 HA THR 69 -5.491 -6.348 -2.329 502 HB THR 69 HB THR 69 -4.910 -4.484 -3.666 503 HG1 THR 69 1HG THR 69 -2.670 -4.475 -4.597 504 HG21 THR 69 1HG2 THR 69 -3.872 -3.612 -1.897 505 HG22 THR 69 2HG2 THR 69 -2.347 -4.214 -2.548 506 HG23 THR 69 3HG2 THR 69 -3.272 -5.199 -1.415 507 H ARG 70 H ARG 70 -5.463 -8.896 -3.196 508 HA ARG 70 HA ARG 70 -5.634 -8.838 -6.117 509 HB2 ARG 70 1HB ARG 70 -4.426 -10.683 -4.817 510 HB3 ARG 70 2HB ARG 70 -6.025 -11.247 -4.353 511 HG2 ARG 70 1HG ARG 70 -6.578 -11.423 -6.784 512 HG3 ARG 70 2HG ARG 70 -4.884 -11.069 -7.129 513 HD2 ARG 70 1HD ARG 70 -4.153 -13.083 -6.289 514 HD3 ARG 70 2HD ARG 70 -5.547 -13.264 -5.225 515 HE ARG 70 HE ARG 70 -6.214 -13.390 -8.015 516 HH11 ARG 70 2HH1 ARG 70 -5.107 -15.205 -5.258 517 HH12 ARG 70 1HH1 ARG 70 -5.668 -16.726 -5.870 518 HH21 ARG 70 2HH2 ARG 70 -6.957 -15.386 -8.831 519 HH22 ARG 70 1HH2 ARG 70 -6.720 -16.828 -7.903 520 H ASP 71 H ASP 71 -7.599 -9.460 -3.250 521 HA ASP 71 HA ASP 71 -9.997 -9.348 -4.962 522 HB2 ASP 71 1HB ASP 71 -9.699 -11.568 -3.948 523 HB3 ASP 71 2HB ASP 71 -9.648 -10.833 -2.348 524 H MET 72 H MET 72 -9.044 -6.971 -4.246 525 HA MET 72 HA MET 72 -10.892 -6.110 -2.127 526 HB2 MET 72 1HB MET 72 -8.210 -4.811 -2.556 527 HB3 MET 72 2HB MET 72 -9.307 -4.619 -1.196 528 HG2 MET 72 1HG MET 72 -8.860 -7.208 -0.933 529 HG3 MET 72 2HG MET 72 -7.380 -6.790 -1.792 530 HE1 MET 72 1HE MET 72 -7.412 -3.465 0.016 531 HE2 MET 72 2HE MET 72 -5.807 -4.091 0.391 532 HE3 MET 72 3HE MET 72 -6.493 -4.330 -1.217 533 H THR 73 H THR 73 -11.898 -4.131 -2.438 534 HA THR 73 HA THR 73 -11.759 -3.115 -5.186 535 HB THR 73 HB THR 73 -13.922 -1.933 -4.529 536 HG1 THR 73 1HG THR 73 -14.960 -2.724 -2.693 537 HG21 THR 73 1HG2 THR 73 -13.549 -4.872 -4.852 538 HG22 THR 73 2HG2 THR 73 -14.317 -3.707 -5.931 539 HG23 THR 73 3HG2 THR 73 -15.163 -4.264 -4.488 540 H HIS 74 H HIS 74 -11.600 -0.900 -5.630 541 HA HIS 74 HA HIS 74 -9.751 0.619 -4.456 542 HB2 HIS 74 1HB HIS 74 -11.212 1.175 -6.490 543 HB3 HIS 74 2HB HIS 74 -12.320 1.921 -5.343 544 HD1 HIS 74 1HD HIS 74 -11.639 4.074 -6.901 545 HD2 HIS 74 2HD HIS 74 -8.765 2.636 -4.268 546 HE1 HIS 74 1HE HIS 74 -9.972 5.938 -6.643 547 HE2 HIS 74 2HE HIS 74 -8.197 5.014 -5.113 548 H ALA 75 H ALA 75 -13.015 0.193 -3.257 549 HA ALA 75 HA ALA 75 -13.001 2.247 -1.325 550 HB1 ALA 75 1HB ALA 75 -15.068 1.533 -0.848 551 HB2 ALA 75 2HB ALA 75 -14.858 0.468 -2.239 552 HB3 ALA 75 3HB ALA 75 -14.542 -0.134 -0.612 553 H ARG 76 H ARG 76 -12.412 -1.254 -0.968 554 HA ARG 76 HA ARG 76 -11.827 -1.358 1.710 555 HB2 ARG 76 1HB ARG 76 -11.934 -3.409 0.557 556 HB3 ARG 76 2HB ARG 76 -10.728 -2.907 -0.621 557 HG2 ARG 76 1HG ARG 76 -9.801 -4.546 0.894 558 HG3 ARG 76 2HG ARG 76 -9.006 -2.986 1.121 559 HD2 ARG 76 1HD ARG 76 -9.387 -3.481 3.302 560 HD3 ARG 76 2HD ARG 76 -10.939 -2.728 2.937 561 HE ARG 76 HE ARG 76 -11.255 -5.400 2.363 562 HH11 ARG 76 2HH1 ARG 76 -10.407 -3.500 5.155 563 HH12 ARG 76 1HH1 ARG 76 -11.080 -4.626 6.287 564 HH21 ARG 76 2HH2 ARG 76 -12.144 -6.890 3.844 565 HH22 ARG 76 1HH2 ARG 76 -12.067 -6.554 5.540 566 H ALA 77 H ALA 77 -9.503 -0.780 -0.928 567 HA ALA 77 HA ALA 77 -7.204 -0.471 0.573 568 HB1 ALA 77 1HB ALA 77 -7.875 1.146 -1.879 569 HB2 ALA 77 2HB ALA 77 -6.272 0.707 -1.285 570 HB3 ALA 77 3HB ALA 77 -7.349 -0.538 -1.918 571 H ILE 78 H ILE 78 -9.594 2.006 -0.309 572 HA ILE 78 HA ILE 78 -8.286 4.170 0.929 573 HB ILE 78 HB ILE 78 -11.255 3.840 0.488 574 HG12 ILE 78 1HG1 ILE 78 -9.521 3.619 -1.496 575 HG13 ILE 78 2HG1 ILE 78 -11.005 4.546 -1.691 576 HG21 ILE 78 1HG2 ILE 78 -10.913 5.664 1.944 577 HG22 ILE 78 2HG2 ILE 78 -9.512 6.227 1.033 578 HG23 ILE 78 3HG2 ILE 78 -11.128 6.365 0.340 579 HD11 ILE 78 1HD1 ILE 78 -9.794 6.605 -1.275 580 HD12 ILE 78 2HD1 ILE 78 -8.306 5.692 -1.020 581 HD13 ILE 78 3HD1 ILE 78 -9.069 5.708 -2.609 582 H GLU 79 H GLU 79 -9.814 1.482 2.271 583 HA GLU 79 HA GLU 79 -10.518 2.852 4.755 584 HB2 GLU 79 1HB GLU 79 -12.216 1.368 4.372 585 HB3 GLU 79 2HB GLU 79 -11.175 0.228 3.531 586 HG2 GLU 79 1HG GLU 79 -11.650 -0.933 5.440 587 HG3 GLU 79 2HG GLU 79 -10.142 -0.141 5.894 588 H LEU 80 H LEU 80 -8.353 0.334 3.539 589 HA LEU 80 HA LEU 80 -7.206 -0.421 5.977 590 HB2 LEU 80 1HB LEU 80 -6.003 -0.378 3.214 591 HB3 LEU 80 2HB LEU 80 -5.294 -1.196 4.605 592 HG LEU 80 HG LEU 80 -7.873 -1.888 3.204 593 HD11 LEU 80 1HD1 LEU 80 -5.503 -2.537 2.320 594 HD12 LEU 80 2HD1 LEU 80 -6.797 -3.734 2.361 595 HD13 LEU 80 3HD1 LEU 80 -5.562 -3.727 3.620 596 HD21 LEU 80 1HD2 LEU 80 -6.644 -3.156 5.650 597 HD22 LEU 80 2HD2 LEU 80 -8.083 -3.712 4.796 598 HD23 LEU 80 3HD2 LEU 80 -8.099 -2.159 5.632 599 H ILE 81 H ILE 81 -6.435 2.211 3.767 600 HA ILE 81 HA ILE 81 -4.003 3.009 4.916 601 HB ILE 81 HB ILE 81 -6.033 4.817 3.603 602 HG12 ILE 81 1HG1 ILE 81 -3.735 3.476 2.200 603 HG13 ILE 81 2HG1 ILE 81 -5.297 2.678 2.342 604 HG21 ILE 81 1HG2 ILE 81 -3.961 6.072 2.941 605 HG22 ILE 81 2HG2 ILE 81 -4.337 6.101 4.663 606 HG23 ILE 81 3HG2 ILE 81 -3.066 5.040 4.057 607 HD11 ILE 81 1HD1 ILE 81 -5.281 5.447 1.305 608 HD12 ILE 81 2HD1 ILE 81 -4.643 4.177 0.261 609 HD13 ILE 81 3HD1 ILE 81 -6.295 4.073 0.867 610 H LYS 82 H LYS 82 -7.332 3.700 5.777 611 HA LYS 82 HA LYS 82 -6.460 5.526 7.893 612 HB2 LYS 82 1HB LYS 82 -9.104 5.589 8.163 613 HB3 LYS 82 2HB LYS 82 -8.272 6.548 6.946 614 HG2 LYS 82 1HG LYS 82 -8.753 4.846 5.266 615 HG3 LYS 82 2HG LYS 82 -9.578 3.873 6.486 616 HD2 LYS 82 1HD LYS 82 -11.284 5.018 5.328 617 HD3 LYS 82 2HD LYS 82 -11.088 5.881 6.856 618 HE2 LYS 82 1HE LYS 82 -9.502 7.421 5.580 619 HE3 LYS 82 2HE LYS 82 -10.150 6.685 4.116 620 HZ1 LYS 82 1HZ LYS 82 -11.772 8.172 4.241 621 HZ2 LYS 82 2HZ LYS 82 -11.298 8.683 5.782 622 HZ3 LYS 82 3HZ LYS 82 -12.348 7.367 5.614 623 H SER 83 H SER 83 -7.407 2.289 7.403 624 HA SER 83 HA SER 83 -8.365 1.861 10.100 625 HB2 SER 83 1HB SER 83 -8.102 0.218 7.635 626 HB3 SER 83 2HB SER 83 -8.068 -0.639 9.176 627 HG SER 83 HG SER 83 -10.194 -0.441 8.403 628 H GLY 84 H GLY 84 -5.362 2.020 8.560 629 HA2 GLY 84 1HA GLY 84 -4.025 0.134 10.319 630 HA3 GLY 84 2HA GLY 84 -3.269 1.125 9.080 631 H GLY 85 H GLY 85 -4.417 3.619 10.025 632 HA2 GLY 85 1HA GLY 85 -4.350 4.764 12.249 633 HA3 GLY 85 2HA GLY 85 -2.830 3.918 12.501 634 H ARG 86 H ARG 86 -1.471 5.636 12.671 635 HA ARG 86 HA ARG 86 -1.554 7.775 10.719 636 HB2 ARG 86 1HB ARG 86 -0.176 7.275 13.294 637 HB3 ARG 86 2HB ARG 86 0.676 8.295 12.142 638 HG2 ARG 86 1HG ARG 86 -0.967 9.936 12.185 639 HG3 ARG 86 2HG ARG 86 -2.181 8.835 12.841 640 HD2 ARG 86 1HD ARG 86 -0.593 8.703 14.885 641 HD3 ARG 86 2HD ARG 86 0.099 10.187 14.231 642 HE ARG 86 HE ARG 86 -2.498 10.797 14.289 643 HH11 ARG 86 2HH1 ARG 86 -0.439 9.321 16.677 644 HH12 ARG 86 1HH1 ARG 86 -1.327 9.955 18.023 645 HH21 ARG 86 2HH2 ARG 86 -3.675 11.637 16.053 646 HH22 ARG 86 1HH2 ARG 86 -3.168 11.271 17.667 647 H ARG 87 H ARG 87 0.105 4.807 11.196 648 HA ARG 87 HA ARG 87 2.054 5.524 9.107 649 HB2 ARG 87 1HB ARG 87 2.242 3.328 11.177 650 HB3 ARG 87 2HB ARG 87 3.465 3.721 9.975 651 HG2 ARG 87 1HG ARG 87 3.943 5.798 11.012 652 HG3 ARG 87 2HG ARG 87 2.532 5.669 12.064 653 HD2 ARG 87 1HD ARG 87 3.564 3.647 13.087 654 HD3 ARG 87 2HD ARG 87 5.008 3.951 12.122 655 HE ARG 87 HE ARG 87 4.422 6.279 13.540 656 HH11 ARG 87 2HH1 ARG 87 5.402 2.998 14.167 657 HH12 ARG 87 1HH1 ARG 87 6.258 3.394 15.621 658 HH21 ARG 87 2HH2 ARG 87 5.545 6.813 15.452 659 HH22 ARG 87 1HH2 ARG 87 6.338 5.564 16.351 660 H VAL 88 H VAL 88 1.870 4.562 7.194 661 HA VAL 88 HA VAL 88 0.291 2.078 7.020 662 HB VAL 88 HB VAL 88 -0.942 3.998 6.078 663 HG11 VAL 88 1HG1 VAL 88 -0.152 5.360 4.403 664 HG12 VAL 88 2HG1 VAL 88 1.327 5.065 5.318 665 HG13 VAL 88 3HG1 VAL 88 1.014 4.166 3.833 666 HG21 VAL 88 1HG2 VAL 88 -0.029 2.141 3.889 667 HG22 VAL 88 2HG2 VAL 88 -1.136 1.661 5.175 668 HG23 VAL 88 3HG2 VAL 88 -1.595 2.937 4.048 669 H ARG 89 H ARG 89 0.933 0.546 5.473 670 HA ARG 89 HA ARG 89 3.459 1.021 4.076 671 HB2 ARG 89 1HB ARG 89 4.264 0.003 6.056 672 HB3 ARG 89 2HB ARG 89 2.948 -1.163 6.084 673 HG2 ARG 89 1HG ARG 89 3.946 -2.002 3.858 674 HG3 ARG 89 2HG ARG 89 5.388 -1.116 4.359 675 HD2 ARG 89 1HD ARG 89 4.008 -3.171 6.075 676 HD3 ARG 89 2HD ARG 89 5.348 -3.546 4.992 677 HE ARG 89 HE ARG 89 5.873 -1.421 6.874 678 HH11 ARG 89 2HH1 ARG 89 6.012 -4.844 6.255 679 HH12 ARG 89 1HH1 ARG 89 7.254 -5.138 7.426 680 HH21 ARG 89 2HH2 ARG 89 7.509 -1.796 8.419 681 HH22 ARG 89 1HH2 ARG 89 8.104 -3.404 8.657 682 H LEU 90 H LEU 90 3.318 0.359 2.040 683 HA LEU 90 HA LEU 90 1.608 -1.934 1.390 684 HB2 LEU 90 1HB LEU 90 1.160 -0.435 -0.779 685 HB3 LEU 90 2HB LEU 90 0.103 -0.443 0.631 686 HG LEU 90 HG LEU 90 2.298 1.550 0.602 687 HD11 LEU 90 1HD1 LEU 90 0.886 1.313 -1.703 688 HD12 LEU 90 2HD1 LEU 90 1.570 2.821 -1.096 689 HD13 LEU 90 3HD1 LEU 90 -0.124 2.437 -0.794 690 HD21 LEU 90 1HD2 LEU 90 -0.052 1.031 2.067 691 HD22 LEU 90 2HD2 LEU 90 -0.319 2.538 1.192 692 HD23 LEU 90 3HD2 LEU 90 1.075 2.374 2.259 693 H LEU 91 H LEU 91 2.227 -3.104 -0.446 694 HA LEU 91 HA LEU 91 5.030 -2.864 -1.106 695 HB2 LEU 91 1HB LEU 91 3.696 -5.023 -0.671 696 HB3 LEU 91 2HB LEU 91 3.117 -4.826 -2.324 697 HG LEU 91 HG LEU 91 5.985 -5.209 -1.467 698 HD11 LEU 91 1HD1 LEU 91 4.968 -7.294 -1.290 699 HD12 LEU 91 2HD1 LEU 91 5.638 -7.297 -2.921 700 HD13 LEU 91 3HD1 LEU 91 3.916 -7.007 -2.676 701 HD21 LEU 91 1HD2 LEU 91 5.898 -3.758 -3.390 702 HD22 LEU 91 2HD2 LEU 91 4.769 -4.842 -4.203 703 HD23 LEU 91 3HD2 LEU 91 6.427 -5.363 -3.896 704 H LEU 92 H LEU 92 5.733 -1.631 -2.708 705 HA LEU 92 HA LEU 92 4.115 -1.429 -5.154 706 HB2 LEU 92 1HB LEU 92 3.984 0.605 -3.619 707 HB3 LEU 92 2HB LEU 92 5.672 0.886 -4.040 708 HG LEU 92 HG LEU 92 4.765 0.826 -6.494 709 HD11 LEU 92 1HD1 LEU 92 2.562 1.009 -6.848 710 HD12 LEU 92 2HD1 LEU 92 2.325 2.069 -5.459 711 HD13 LEU 92 3HD1 LEU 92 2.408 0.323 -5.230 712 HD21 LEU 92 1HD2 LEU 92 5.339 2.964 -6.364 713 HD22 LEU 92 2HD2 LEU 92 5.301 2.846 -4.605 714 HD23 LEU 92 3HD2 LEU 92 3.856 3.342 -5.488 715 H LYS 93 H LYS 93 5.314 -0.973 -7.080 716 HA LYS 93 HA LYS 93 8.186 -1.599 -6.854 717 HB2 LYS 93 1HB LYS 93 6.582 -2.317 -9.283 718 HB3 LYS 93 2HB LYS 93 8.092 -3.011 -8.706 719 HG2 LYS 93 1HG LYS 93 7.052 -4.403 -7.227 720 HG3 LYS 93 2HG LYS 93 5.666 -3.329 -7.021 721 HD2 LYS 93 1HD LYS 93 6.181 -4.714 -9.632 722 HD3 LYS 93 2HD LYS 93 5.333 -5.531 -8.317 723 HE2 LYS 93 1HE LYS 93 3.918 -3.307 -8.310 724 HE3 LYS 93 2HE LYS 93 4.492 -3.203 -9.973 725 HZ1 LYS 93 1HZ LYS 93 3.225 -5.660 -8.930 726 HZ2 LYS 93 2HZ LYS 93 3.428 -5.181 -10.539 727 HZ3 LYS 93 3HZ LYS 93 2.300 -4.391 -9.558 728 H ARG 94 H ARG 94 9.549 -0.196 -7.767 729 HA ARG 94 HA ARG 94 8.442 2.090 -9.184 730 HB2 ARG 94 1HB ARG 94 10.336 1.984 -7.299 731 HB3 ARG 94 2HB ARG 94 11.367 1.829 -8.716 732 HG2 ARG 94 1HG ARG 94 9.368 4.045 -8.344 733 HG3 ARG 94 2HG ARG 94 11.066 4.159 -7.877 734 HD2 ARG 94 1HD ARG 94 11.707 3.679 -10.211 735 HD3 ARG 94 2HD ARG 94 10.001 3.652 -10.653 736 HE ARG 94 HE ARG 94 10.813 6.087 -9.366 737 HH11 ARG 94 2HH1 ARG 94 10.609 4.387 -12.397 738 HH12 ARG 94 1HH1 ARG 94 10.593 5.831 -13.355 739 HH21 ARG 94 2HH2 ARG 94 10.793 7.995 -10.616 740 HH22 ARG 94 1HH2 ARG 94 10.699 7.883 -12.341 741 H GLY 95 H GLY 95 8.602 2.431 -11.316 742 HA2 GLY 95 1HA GLY 95 9.627 0.344 -12.999 743 HA3 GLY 95 2HA GLY 95 8.898 1.851 -13.533 744 H THR 96 H THR 96 11.786 1.129 -11.579 745 HA THR 96 HA THR 96 13.295 3.071 -13.129 746 HB THR 96 HB THR 96 13.554 3.101 -10.701 747 HG1 THR 96 1HG THR 96 15.644 3.511 -10.888 748 HG21 THR 96 1HG2 THR 96 15.178 0.724 -10.424 749 HG22 THR 96 2HG2 THR 96 13.536 0.322 -10.926 750 HG23 THR 96 3HG2 THR 96 13.804 1.263 -9.460 751 H GLY 97 H GLY 97 12.973 -0.371 -12.811 752 HA2 GLY 97 1HA GLY 97 15.429 -0.854 -14.327 753 HA3 GLY 97 2HA GLY 97 14.420 -2.078 -13.569 754 H SER 98 H SER 98 13.440 0.520 -15.766 755 HA SER 98 HA SER 98 12.625 -1.549 -17.701 756 HB2 SER 98 1HB SER 98 10.627 -0.385 -18.171 757 HB3 SER 98 2HB SER 98 10.764 -0.324 -16.414 758 HG SER 98 HG SER 98 11.960 1.781 -17.006 759 H GLY 99 H GLY 99 13.286 -1.307 -19.755 760 HA2 GLY 99 1HA GLY 99 14.312 -0.415 -21.606 761 HA3 GLY 99 2HA GLY 99 13.803 1.161 -21.019 762 HA PRO 100 HA PRO 100 18.277 1.609 -20.852 763 HB2 PRO 100 1HB PRO 100 18.221 4.313 -20.619 764 HB3 PRO 100 2HB PRO 100 18.028 3.477 -22.165 765 HG2 PRO 100 1HG PRO 100 15.936 4.627 -20.358 766 HG3 PRO 100 2HG PRO 100 16.061 4.717 -22.125 767 HD2 PRO 100 1HD PRO 100 14.413 2.974 -20.868 768 HD3 PRO 100 2HD PRO 100 15.191 2.603 -22.420 769 H SER 101 H SER 101 19.582 1.603 -19.116 770 HA SER 101 HA SER 101 18.419 2.029 -16.502 771 HB2 SER 101 1HB SER 101 19.884 0.092 -16.899 772 HB3 SER 101 2HB SER 101 21.219 1.178 -17.285 773 HG SER 101 HG SER 101 19.881 1.416 -14.825 774 H SER 102 H SER 102 18.557 4.392 -17.988 775 HA SER 102 HA SER 102 20.362 5.954 -16.292 776 HB2 SER 102 1HB SER 102 20.145 6.302 -19.292 777 HB3 SER 102 2HB SER 102 21.062 7.343 -18.202 778 HG SER 102 HG SER 102 21.567 4.586 -18.198 779 H GLY 103 H GLY 103 19.605 7.970 -15.726 780 HA2 GLY 103 1HA GLY 103 17.223 9.040 -16.997 781 HA3 GLY 103 2HA GLY 103 17.001 8.486 -15.344 Start of MODEL 14 1 H1 GLY 1 H GLY 1 17.534 -18.009 -10.162 2 HA2 GLY 1 1HA GLY 1 14.865 -17.874 -8.962 3 HA3 GLY 1 2HA GLY 1 15.673 -16.581 -9.836 4 H SER 2 H SER 2 13.833 -19.542 -10.134 5 HA SER 2 HA SER 2 13.696 -19.334 -13.024 6 HB2 SER 2 1HB SER 2 12.724 -21.299 -10.984 7 HB3 SER 2 2HB SER 2 11.978 -21.285 -12.582 8 HG SER 2 HG SER 2 13.629 -22.551 -12.998 9 H SER 3 H SER 3 12.711 -17.056 -11.785 10 HA SER 3 HA SER 3 10.073 -16.837 -11.155 11 HB2 SER 3 1HB SER 3 10.194 -14.567 -11.744 12 HB3 SER 3 2HB SER 3 11.872 -14.995 -11.411 13 HG SER 3 HG SER 3 12.110 -15.307 -13.703 14 H GLY 4 H GLY 4 8.150 -16.347 -12.338 15 HA2 GLY 4 1HA GLY 4 8.064 -16.683 -15.190 16 HA3 GLY 4 2HA GLY 4 7.449 -18.084 -14.326 17 H SER 5 H SER 5 7.132 -14.534 -14.141 18 HA SER 5 HA SER 5 5.311 -13.271 -13.504 19 HB2 SER 5 1HB SER 5 5.145 -13.890 -16.036 20 HB3 SER 5 2HB SER 5 3.780 -14.882 -15.525 21 HG SER 5 HG SER 5 2.740 -13.058 -15.744 22 H SER 6 H SER 6 5.599 -15.554 -11.834 23 HA SER 6 HA SER 6 2.786 -16.255 -11.305 24 HB2 SER 6 1HB SER 6 5.325 -17.757 -10.632 25 HB3 SER 6 2HB SER 6 3.725 -18.214 -10.048 26 HG SER 6 HG SER 6 3.998 -19.379 -11.872 27 H GLY 7 H GLY 7 2.466 -14.291 -10.133 28 HA2 GLY 7 1HA GLY 7 2.034 -13.608 -7.893 29 HA3 GLY 7 2HA GLY 7 3.466 -14.488 -7.380 30 H GLN 8 H GLN 8 5.372 -13.435 -7.217 31 HA GLN 8 HA GLN 8 5.373 -10.606 -7.219 32 HB2 GLN 8 1HB GLN 8 7.976 -11.091 -7.078 33 HB3 GLN 8 2HB GLN 8 6.907 -11.392 -5.715 34 HG2 GLN 8 1HG GLN 8 6.946 -13.691 -6.026 35 HG3 GLN 8 2HG GLN 8 7.503 -13.552 -7.693 36 HE21 GLN 8 1HE2 GLN 8 8.406 -13.673 -4.377 37 HE22 GLN 8 2HE2 GLN 8 10.116 -13.703 -4.617 38 H ASP 9 H ASP 9 5.407 -9.345 -8.948 39 HA ASP 9 HA ASP 9 6.129 -10.252 -11.537 40 HB2 ASP 9 1HB ASP 9 5.277 -7.673 -10.331 41 HB3 ASP 9 2HB ASP 9 6.120 -7.594 -11.876 42 H PHE 10 H PHE 10 7.550 -7.434 -9.905 43 HA PHE 10 HA PHE 10 10.201 -8.366 -9.890 44 HB2 PHE 10 1HB PHE 10 11.045 -6.825 -11.747 45 HB3 PHE 10 2HB PHE 10 10.243 -8.308 -12.252 46 HD1 PHE 10 1HD PHE 10 9.919 -4.662 -11.975 47 HD2 PHE 10 2HD PHE 10 8.167 -8.258 -13.428 48 HE1 PHE 10 1HE PHE 10 8.357 -3.343 -13.345 49 HE2 PHE 10 2HE PHE 10 6.602 -6.946 -14.800 50 HZ PHE 10 HZ PHE 10 6.696 -4.485 -14.760 51 H ASP 11 H ASP 11 11.505 -7.006 -8.752 52 HA ASP 11 HA ASP 11 12.088 -5.285 -7.385 53 HB2 ASP 11 1HB ASP 11 10.524 -3.728 -9.451 54 HB3 ASP 11 2HB ASP 11 11.466 -2.976 -8.166 55 H TYR 12 H TYR 12 10.221 -6.704 -6.230 56 HA TYR 12 HA TYR 12 7.945 -5.049 -5.505 57 HB2 TYR 12 1HB TYR 12 8.718 -7.894 -5.132 58 HB3 TYR 12 2HB TYR 12 7.663 -7.187 -3.913 59 HD1 TYR 12 1HD TYR 12 7.505 -6.023 -7.373 60 HD2 TYR 12 2HD TYR 12 5.840 -8.696 -4.511 61 HE1 TYR 12 1HE TYR 12 5.568 -6.384 -8.845 62 HE2 TYR 12 2HE TYR 12 3.899 -9.065 -5.976 63 HH TYR 12 HH TYR 12 3.673 -7.499 -9.156 64 H PHE 13 H PHE 13 8.744 -3.367 -4.298 65 HA PHE 13 HA PHE 13 10.206 -4.062 -1.841 66 HB2 PHE 13 1HB PHE 13 11.006 -1.779 -1.795 67 HB3 PHE 13 2HB PHE 13 11.320 -2.461 -3.388 68 HD1 PHE 13 1HD PHE 13 10.047 -1.722 -5.331 69 HD2 PHE 13 2HD PHE 13 9.449 0.016 -1.492 70 HE1 PHE 13 1HE PHE 13 8.866 0.168 -6.374 71 HE2 PHE 13 2HE PHE 13 8.266 1.908 -2.528 72 HZ PHE 13 HZ PHE 13 7.972 1.985 -4.972 73 H THR 14 H THR 14 9.727 -2.540 0.028 74 HA THR 14 HA THR 14 6.808 -2.286 0.276 75 HB THR 14 HB THR 14 7.205 -2.300 2.732 76 HG1 THR 14 1HG THR 14 9.466 -1.585 2.503 77 HG21 THR 14 1HG2 THR 14 6.641 -4.377 1.590 78 HG22 THR 14 2HG2 THR 14 7.786 -4.687 2.895 79 HG23 THR 14 3HG2 THR 14 8.343 -4.656 1.223 80 H VAL 15 H VAL 15 5.962 -0.481 1.519 81 HA VAL 15 HA VAL 15 7.655 1.923 1.291 82 HB VAL 15 HB VAL 15 4.652 1.762 0.994 83 HG11 VAL 15 1HG1 VAL 15 6.529 4.100 0.658 84 HG12 VAL 15 2HG1 VAL 15 4.789 4.115 0.364 85 HG13 VAL 15 3HG1 VAL 15 5.407 3.862 1.997 86 HG21 VAL 15 1HG2 VAL 15 6.348 0.918 -0.863 87 HG22 VAL 15 2HG2 VAL 15 4.882 1.808 -1.273 88 HG23 VAL 15 3HG2 VAL 15 6.433 2.645 -1.211 89 H ASP 16 H ASP 16 7.665 3.381 2.963 90 HA ASP 16 HA ASP 16 6.005 2.781 5.309 91 HB2 ASP 16 1HB ASP 16 8.237 1.757 5.643 92 HB3 ASP 16 2HB ASP 16 8.977 3.340 5.420 93 H MET 17 H MET 17 4.825 4.537 5.657 94 HA MET 17 HA MET 17 6.135 7.123 5.860 95 HB2 MET 17 1HB MET 17 3.619 7.155 4.284 96 HB3 MET 17 2HB MET 17 5.019 8.215 4.190 97 HG2 MET 17 1HG MET 17 6.268 6.440 3.047 98 HG3 MET 17 2HG MET 17 4.837 5.413 3.109 99 HE1 MET 17 1HE MET 17 2.689 8.307 2.335 100 HE2 MET 17 2HE MET 17 2.295 7.298 0.944 101 HE3 MET 17 3HE MET 17 2.537 6.560 2.527 102 H GLU 18 H GLU 18 4.392 8.825 6.522 103 HA GLU 18 HA GLU 18 2.572 7.543 8.453 104 HB2 GLU 18 1HB GLU 18 4.488 9.794 8.747 105 HB3 GLU 18 2HB GLU 18 2.953 9.939 9.591 106 HG2 GLU 18 1HG GLU 18 3.409 8.219 11.016 107 HG3 GLU 18 2HG GLU 18 4.474 7.406 9.871 108 H LYS 19 H LYS 19 0.882 9.256 9.236 109 HA LYS 19 HA LYS 19 -0.531 10.110 6.856 110 HB2 LYS 19 1HB LYS 19 -1.597 8.918 8.836 111 HB3 LYS 19 2HB LYS 19 -1.430 10.431 9.717 112 HG2 LYS 19 1HG LYS 19 -2.966 11.535 8.354 113 HG3 LYS 19 2HG LYS 19 -2.850 10.316 7.082 114 HD2 LYS 19 1HD LYS 19 -3.894 9.638 9.814 115 HD3 LYS 19 2HD LYS 19 -4.945 10.315 8.568 116 HE2 LYS 19 1HE LYS 19 -3.928 8.403 7.099 117 HE3 LYS 19 2HE LYS 19 -3.558 7.672 8.660 118 HZ1 LYS 19 1HZ LYS 19 -5.828 7.236 7.446 119 HZ2 LYS 19 2HZ LYS 19 -6.273 8.672 8.221 120 HZ3 LYS 19 3HZ LYS 19 -5.745 7.348 9.133 121 H GLY 20 H GLY 20 -1.600 12.262 6.805 122 HA2 GLY 20 1HA GLY 20 0.184 14.320 7.952 123 HA3 GLY 20 2HA GLY 20 -0.530 14.446 6.351 124 H ALA 21 H ALA 21 -2.090 15.905 6.289 125 HA ALA 21 HA ALA 21 -3.518 16.646 8.699 126 HB1 ALA 21 1HB ALA 21 -4.662 18.090 6.673 127 HB2 ALA 21 2HB ALA 21 -3.286 18.605 7.648 128 HB3 ALA 21 3HB ALA 21 -3.019 17.839 6.083 129 H LYS 22 H LYS 22 -4.441 15.573 5.423 130 HA LYS 22 HA LYS 22 -6.981 14.603 6.555 131 HB2 LYS 22 1HB LYS 22 -8.014 14.955 4.458 132 HB3 LYS 22 2HB LYS 22 -7.038 16.390 4.747 133 HG2 LYS 22 1HG LYS 22 -5.797 14.173 3.220 134 HG3 LYS 22 2HG LYS 22 -7.050 15.125 2.421 135 HD2 LYS 22 1HD LYS 22 -4.888 16.568 3.869 136 HD3 LYS 22 2HD LYS 22 -4.503 15.824 2.316 137 HE2 LYS 22 1HE LYS 22 -6.805 17.717 2.766 138 HE3 LYS 22 2HE LYS 22 -5.221 18.210 2.169 139 HZ1 LYS 22 1HZ LYS 22 -6.687 16.064 0.794 140 HZ2 LYS 22 2HZ LYS 22 -5.540 17.142 0.176 141 HZ3 LYS 22 3HZ LYS 22 -7.111 17.677 0.506 142 H GLY 23 H GLY 23 -4.017 13.545 5.590 143 HA2 GLY 23 1HA GLY 23 -4.464 10.863 5.802 144 HA3 GLY 23 2HA GLY 23 -4.789 11.204 4.109 145 H PHE 24 H PHE 24 -2.991 9.718 3.735 146 HA PHE 24 HA PHE 24 -0.341 10.599 4.474 147 HB2 PHE 24 1HB PHE 24 -1.297 8.322 2.730 148 HB3 PHE 24 2HB PHE 24 0.393 8.628 3.116 149 HD1 PHE 24 2HD PHE 24 -2.899 7.906 4.669 150 HD2 PHE 24 1HD PHE 24 1.337 7.759 5.054 151 HE1 PHE 24 2HE PHE 24 -3.135 6.580 6.728 152 HE2 PHE 24 1HE PHE 24 1.108 6.432 7.113 153 HZ PHE 24 HZ PHE 24 -1.131 5.841 7.953 154 H GLY 25 H GLY 25 -1.787 12.495 2.937 155 HA2 GLY 25 1HA GLY 25 -1.743 13.664 0.926 156 HA3 GLY 25 2HA GLY 25 -0.018 13.577 1.251 157 H PHE 26 H PHE 26 -2.176 10.919 0.372 158 HA PHE 26 HA PHE 26 -1.144 10.842 -2.334 159 HB2 PHE 26 1HB PHE 26 0.089 8.903 -2.214 160 HB3 PHE 26 2HB PHE 26 0.425 9.574 -0.622 161 HD1 PHE 26 2HD PHE 26 -2.097 7.384 -2.287 162 HD2 PHE 26 1HD PHE 26 0.246 8.169 1.179 163 HE1 PHE 26 2HE PHE 26 -2.956 5.328 -1.245 164 HE2 PHE 26 1HE PHE 26 -0.609 6.113 2.226 165 HZ PHE 26 HZ PHE 26 -2.213 4.690 1.014 166 H SER 27 H SER 27 -2.510 9.841 -3.735 167 HA SER 27 HA SER 27 -4.934 8.642 -2.563 168 HB2 SER 27 1HB SER 27 -5.119 10.836 -3.890 169 HB3 SER 27 2HB SER 27 -4.776 9.859 -5.318 170 HG SER 27 HG SER 27 -6.717 9.035 -5.222 171 H ILE 28 H ILE 28 -6.081 7.167 -4.220 172 HA ILE 28 HA ILE 28 -4.130 5.564 -5.720 173 HB ILE 28 HB ILE 28 -5.739 3.597 -4.829 174 HG12 ILE 28 1HG1 ILE 28 -5.360 5.252 -2.350 175 HG13 ILE 28 2HG1 ILE 28 -6.812 5.433 -3.329 176 HG21 ILE 28 1HG2 ILE 28 -3.370 4.562 -3.243 177 HG22 ILE 28 2HG2 ILE 28 -3.933 2.904 -3.449 178 HG23 ILE 28 3HG2 ILE 28 -3.234 3.774 -4.814 179 HD11 ILE 28 1HD1 ILE 28 -7.253 3.914 -1.534 180 HD12 ILE 28 2HD1 ILE 28 -7.237 3.011 -3.050 181 HD13 ILE 28 3HD1 ILE 28 -5.851 2.933 -1.961 182 H ARG 29 H ARG 29 -5.314 3.866 -7.082 183 HA ARG 29 HA ARG 29 -7.993 4.630 -7.898 184 HB2 ARG 29 1HB ARG 29 -7.483 5.164 -10.143 185 HB3 ARG 29 2HB ARG 29 -6.340 6.082 -9.172 186 HG2 ARG 29 1HG ARG 29 -4.546 4.807 -9.827 187 HG3 ARG 29 2HG ARG 29 -5.547 3.402 -10.202 188 HD2 ARG 29 1HD ARG 29 -6.160 4.222 -12.263 189 HD3 ARG 29 2HD ARG 29 -5.901 5.900 -11.790 190 HE ARG 29 HE ARG 29 -3.464 4.429 -11.828 191 HH11 ARG 29 2HH1 ARG 29 -5.791 6.028 -13.866 192 HH12 ARG 29 1HH1 ARG 29 -4.651 6.364 -15.126 193 HH21 ARG 29 2HH2 ARG 29 -1.954 4.865 -13.481 194 HH22 ARG 29 1HH2 ARG 29 -2.468 5.701 -14.907 195 H GLY 30 H GLY 30 -8.755 3.163 -9.733 196 HA2 GLY 30 1HA GLY 30 -8.963 1.068 -10.695 197 HA3 GLY 30 2HA GLY 30 -7.381 0.655 -10.052 198 H GLY 31 H GLY 31 -8.676 -1.423 -9.771 199 HA2 GLY 31 1HA GLY 31 -8.885 -2.505 -7.477 200 HA3 GLY 31 2HA GLY 31 -10.183 -1.345 -7.235 201 H ARG 32 H ARG 32 -10.853 -3.885 -6.869 202 HA ARG 32 HA ARG 32 -11.583 -5.454 -9.029 203 HB2 ARG 32 1HB ARG 32 -12.549 -5.163 -6.231 204 HB3 ARG 32 2HB ARG 32 -13.574 -6.054 -7.348 205 HG2 ARG 32 1HG ARG 32 -10.665 -6.684 -6.930 206 HG3 ARG 32 2HG ARG 32 -11.965 -7.431 -6.000 207 HD2 ARG 32 1HD ARG 32 -12.140 -7.456 -8.972 208 HD3 ARG 32 2HD ARG 32 -11.009 -8.557 -8.187 209 HE ARG 32 HE ARG 32 -13.407 -8.869 -6.867 210 HH11 ARG 32 2HH1 ARG 32 -12.236 -9.243 -10.124 211 HH12 ARG 32 1HH1 ARG 32 -13.359 -10.501 -10.522 212 HH21 ARG 32 2HH2 ARG 32 -14.890 -10.525 -7.379 213 HH22 ARG 32 1HH2 ARG 32 -14.868 -11.229 -8.960 214 H GLU 33 H GLU 33 -12.934 -2.482 -7.940 215 HA GLU 33 HA GLU 33 -15.537 -2.731 -9.005 216 HB2 GLU 33 1HB GLU 33 -13.825 -0.311 -8.434 217 HB3 GLU 33 2HB GLU 33 -15.496 -0.204 -8.972 218 HG2 GLU 33 1HG GLU 33 -14.877 -1.866 -6.588 219 HG3 GLU 33 2HG GLU 33 -14.862 -0.111 -6.426 220 H TYR 34 H TYR 34 -12.471 -1.730 -10.394 221 HA TYR 34 HA TYR 34 -13.803 -1.341 -12.990 222 HB2 TYR 34 1HB TYR 34 -10.983 -0.483 -12.435 223 HB3 TYR 34 2HB TYR 34 -12.131 0.164 -13.602 224 HD1 TYR 34 2HD TYR 34 -11.222 0.080 -10.025 225 HD2 TYR 34 1HD TYR 34 -13.634 1.915 -13.011 226 HE1 TYR 34 2HE TYR 34 -11.818 1.863 -8.439 227 HE2 TYR 34 1HE TYR 34 -14.237 3.704 -11.433 228 HH TYR 34 HH TYR 34 -13.777 3.502 -8.164 229 H LYS 35 H LYS 35 -12.351 -3.701 -11.349 230 HA LYS 35 HA LYS 35 -11.366 -5.672 -11.915 231 HB2 LYS 35 1HB LYS 35 -12.007 -4.774 -14.730 232 HB3 LYS 35 2HB LYS 35 -11.475 -6.390 -14.284 233 HG2 LYS 35 1HG LYS 35 -13.998 -5.078 -13.296 234 HG3 LYS 35 2HG LYS 35 -13.908 -6.228 -14.632 235 HD2 LYS 35 1HD LYS 35 -12.910 -7.877 -13.044 236 HD3 LYS 35 2HD LYS 35 -13.224 -6.732 -11.738 237 HE2 LYS 35 1HE LYS 35 -15.389 -7.698 -13.586 238 HE3 LYS 35 2HE LYS 35 -14.949 -8.569 -12.118 239 HZ1 LYS 35 1HZ LYS 35 -16.821 -7.032 -11.801 240 HZ2 LYS 35 2HZ LYS 35 -15.817 -5.731 -12.198 241 HZ3 LYS 35 3HZ LYS 35 -15.503 -6.648 -10.812 242 H MET 36 H MET 36 -9.663 -3.591 -11.355 243 HA MET 36 HA MET 36 -7.327 -4.375 -12.903 244 HB2 MET 36 1HB MET 36 -6.611 -2.021 -13.208 245 HB3 MET 36 2HB MET 36 -8.066 -2.418 -14.112 246 HG2 MET 36 1HG MET 36 -9.290 -1.461 -12.023 247 HG3 MET 36 2HG MET 36 -7.741 -0.681 -11.713 248 HE1 MET 36 1HE MET 36 -7.584 2.227 -13.911 249 HE2 MET 36 2HE MET 36 -8.160 2.010 -12.259 250 HE3 MET 36 3HE MET 36 -6.759 1.103 -12.831 251 H ASP 37 H ASP 37 -5.295 -3.605 -11.890 252 HA ASP 37 HA ASP 37 -5.324 -4.107 -9.103 253 HB2 ASP 37 1HB ASP 37 -3.026 -2.837 -10.580 254 HB3 ASP 37 2HB ASP 37 -2.971 -3.911 -9.185 255 H LEU 38 H LEU 38 -4.100 -2.585 -7.564 256 HA LEU 38 HA LEU 38 -5.422 0.017 -7.713 257 HB2 LEU 38 1HB LEU 38 -4.081 -1.472 -5.469 258 HB3 LEU 38 2HB LEU 38 -4.644 0.191 -5.317 259 HG LEU 38 HG LEU 38 -6.591 -1.885 -6.193 260 HD11 LEU 38 1HD1 LEU 38 -6.138 -1.467 -3.275 261 HD12 LEU 38 2HD1 LEU 38 -5.170 -2.656 -4.145 262 HD13 LEU 38 3HD1 LEU 38 -6.927 -2.804 -4.113 263 HD21 LEU 38 1HD2 LEU 38 -7.280 0.432 -6.128 264 HD22 LEU 38 2HD2 LEU 38 -6.741 0.577 -4.455 265 HD23 LEU 38 3HD2 LEU 38 -8.104 -0.469 -4.855 266 H TYR 39 H TYR 39 -4.341 1.733 -8.395 267 HA TYR 39 HA TYR 39 -1.420 1.803 -8.011 268 HB2 TYR 39 1HB TYR 39 -2.743 3.282 -10.254 269 HB3 TYR 39 2HB TYR 39 -1.088 2.697 -10.129 270 HD1 TYR 39 1HD TYR 39 -4.599 1.570 -10.575 271 HD2 TYR 39 2HD TYR 39 -0.478 0.627 -11.054 272 HE1 TYR 39 1HE TYR 39 -5.213 -0.422 -11.881 273 HE2 TYR 39 2HE TYR 39 -1.080 -1.367 -12.362 274 HH TYR 39 HH TYR 39 -3.435 -1.939 -13.867 275 H VAL 40 H VAL 40 -0.531 4.064 -8.061 276 HA VAL 40 HA VAL 40 -2.028 5.684 -6.202 277 HB VAL 40 HB VAL 40 0.630 6.312 -7.490 278 HG11 VAL 40 1HG1 VAL 40 -0.987 7.949 -6.032 279 HG12 VAL 40 2HG1 VAL 40 0.044 7.255 -4.779 280 HG13 VAL 40 3HG1 VAL 40 0.766 8.103 -6.147 281 HG21 VAL 40 1HG2 VAL 40 0.428 5.216 -4.735 282 HG22 VAL 40 2HG2 VAL 40 0.282 4.096 -6.089 283 HG23 VAL 40 3HG2 VAL 40 1.734 5.082 -5.912 284 H LEU 41 H LEU 41 -3.620 6.917 -6.975 285 HA LEU 41 HA LEU 41 -3.899 7.828 -9.595 286 HB2 LEU 41 1HB LEU 41 -5.642 7.703 -7.747 287 HB3 LEU 41 2HB LEU 41 -5.007 9.249 -7.189 288 HG LEU 41 HG LEU 41 -6.982 9.656 -8.474 289 HD11 LEU 41 1HD1 LEU 41 -6.176 11.242 -10.000 290 HD12 LEU 41 2HD1 LEU 41 -4.714 10.313 -10.327 291 HD13 LEU 41 3HD1 LEU 41 -4.918 11.115 -8.770 292 HD21 LEU 41 1HD2 LEU 41 -5.675 7.868 -10.498 293 HD22 LEU 41 2HD2 LEU 41 -6.938 9.012 -10.951 294 HD23 LEU 41 3HD2 LEU 41 -7.280 7.738 -9.779 295 H ARG 42 H ARG 42 -2.950 9.732 -6.728 296 HA ARG 42 HA ARG 42 -0.993 11.190 -8.250 297 HB2 ARG 42 1HB ARG 42 -2.569 12.674 -8.983 298 HB3 ARG 42 2HB ARG 42 -3.652 12.355 -7.635 299 HG2 ARG 42 1HG ARG 42 -1.094 13.782 -7.112 300 HG3 ARG 42 2HG ARG 42 -2.428 14.655 -7.869 301 HD2 ARG 42 1HD ARG 42 -2.702 13.083 -5.316 302 HD3 ARG 42 2HD ARG 42 -2.322 14.804 -5.361 303 HE ARG 42 HE ARG 42 -4.648 14.256 -6.879 304 HH11 ARG 42 2HH1 ARG 42 -3.508 14.529 -3.602 305 HH12 ARG 42 1HH1 ARG 42 -5.052 14.989 -2.964 306 HH21 ARG 42 2HH2 ARG 42 -6.686 14.862 -6.053 307 HH22 ARG 42 1HH2 ARG 42 -6.859 15.178 -4.359 308 H LEU 43 H LEU 43 0.411 12.420 -6.947 309 HA LEU 43 HA LEU 43 0.238 11.750 -4.094 310 HB2 LEU 43 1HB LEU 43 2.459 12.176 -6.005 311 HB3 LEU 43 2HB LEU 43 2.727 12.694 -4.342 312 HG LEU 43 HG LEU 43 1.966 9.898 -5.185 313 HD11 LEU 43 1HD1 LEU 43 4.131 10.006 -5.912 314 HD12 LEU 43 2HD1 LEU 43 4.392 9.567 -4.224 315 HD13 LEU 43 3HD1 LEU 43 4.583 11.243 -4.738 316 HD21 LEU 43 1HD2 LEU 43 2.751 11.068 -2.519 317 HD22 LEU 43 2HD2 LEU 43 2.591 9.344 -2.855 318 HD23 LEU 43 3HD2 LEU 43 1.181 10.399 -2.962 319 H ALA 44 H ALA 44 0.688 13.327 -2.501 320 HA ALA 44 HA ALA 44 -0.210 15.983 -3.243 321 HB1 ALA 44 1HB ALA 44 -0.335 16.403 -0.854 322 HB2 ALA 44 2HB ALA 44 -1.134 14.882 -1.255 323 HB3 ALA 44 3HB ALA 44 0.471 14.869 -0.525 324 H GLU 45 H GLU 45 1.163 17.523 -3.821 325 HA GLU 45 HA GLU 45 3.949 17.320 -3.678 326 HB2 GLU 45 1HB GLU 45 4.022 19.587 -4.448 327 HB3 GLU 45 2HB GLU 45 2.663 18.796 -5.235 328 HG2 GLU 45 1HG GLU 45 1.106 19.873 -3.774 329 HG3 GLU 45 2HG GLU 45 2.413 20.535 -2.794 330 H ASP 46 H ASP 46 1.662 18.242 -1.309 331 HA ASP 46 HA ASP 46 3.838 19.211 0.427 332 HB2 ASP 46 1HB ASP 46 2.030 20.902 -0.278 333 HB3 ASP 46 2HB ASP 46 0.952 19.996 0.780 334 H GLY 47 H GLY 47 2.775 16.476 -0.017 335 HA2 GLY 47 1HA GLY 47 1.630 15.936 2.645 336 HA3 GLY 47 2HA GLY 47 1.488 14.874 1.252 337 HA PRO 48 HA PRO 48 5.124 13.729 4.095 338 HB2 PRO 48 1HB PRO 48 4.038 11.515 5.232 339 HB3 PRO 48 2HB PRO 48 3.888 13.129 5.937 340 HG2 PRO 48 1HG PRO 48 1.922 11.595 4.282 341 HG3 PRO 48 2HG PRO 48 1.642 12.561 5.742 342 HD2 PRO 48 1HD PRO 48 1.119 13.495 3.255 343 HD3 PRO 48 2HD PRO 48 1.651 14.551 4.579 344 H ALA 49 H ALA 49 2.944 12.041 1.956 345 HA ALA 49 HA ALA 49 4.554 9.739 1.529 346 HB1 ALA 49 1HB ALA 49 3.106 9.336 -0.406 347 HB2 ALA 49 2HB ALA 49 2.173 9.733 1.037 348 HB3 ALA 49 3HB ALA 49 2.413 10.948 -0.218 349 H ILE 50 H ILE 50 3.911 12.523 -0.615 350 HA ILE 50 HA ILE 50 5.774 11.955 -2.570 351 HB ILE 50 HB ILE 50 4.010 13.899 -2.356 352 HG12 ILE 50 1HG1 ILE 50 6.518 14.617 -3.834 353 HG13 ILE 50 2HG1 ILE 50 5.621 13.172 -4.289 354 HG21 ILE 50 1HG2 ILE 50 5.037 16.069 -1.945 355 HG22 ILE 50 2HG2 ILE 50 5.161 15.036 -0.522 356 HG23 ILE 50 3HG2 ILE 50 6.567 15.283 -1.557 357 HD11 ILE 50 1HD1 ILE 50 5.158 15.823 -5.082 358 HD12 ILE 50 2HD1 ILE 50 4.199 14.391 -5.457 359 HD13 ILE 50 3HD1 ILE 50 3.812 15.365 -4.039 360 H ARG 51 H ARG 51 6.320 12.934 0.658 361 HA ARG 51 HA ARG 51 8.980 13.977 0.150 362 HB2 ARG 51 1HB ARG 51 7.411 13.523 2.689 363 HB3 ARG 51 2HB ARG 51 9.062 14.128 2.669 364 HG2 ARG 51 1HG ARG 51 8.419 16.120 1.570 365 HG3 ARG 51 2HG ARG 51 6.814 15.482 1.209 366 HD2 ARG 51 1HD ARG 51 6.509 16.950 3.022 367 HD3 ARG 51 2HD ARG 51 6.472 15.331 3.719 368 HE ARG 51 HE ARG 51 8.362 15.841 4.901 369 HH11 ARG 51 2HH1 ARG 51 7.975 18.155 2.329 370 HH12 ARG 51 1HH1 ARG 51 9.267 19.172 2.875 371 HH21 ARG 51 2HH2 ARG 51 10.065 17.172 5.629 372 HH22 ARG 51 1HH2 ARG 51 10.456 18.612 4.751 373 H ASN 52 H ASN 52 7.466 11.000 1.056 374 HA ASN 52 HA ASN 52 9.657 9.736 2.303 375 HB2 ASN 52 1HB ASN 52 7.819 8.463 2.694 376 HB3 ASN 52 2HB ASN 52 7.063 8.904 1.165 377 HD21 ASN 52 1HD2 ASN 52 6.653 7.139 0.060 378 HD22 ASN 52 2HD2 ASN 52 7.719 5.796 -0.149 379 H GLY 53 H GLY 53 8.413 9.310 -1.020 380 HA2 GLY 53 1HA GLY 53 9.848 9.379 -2.939 381 HA3 GLY 53 2HA GLY 53 11.188 8.901 -1.908 382 H ARG 54 H ARG 54 10.439 6.694 -0.665 383 HA ARG 54 HA ARG 54 10.867 4.611 -2.300 384 HB2 ARG 54 1HB ARG 54 9.292 4.851 0.220 385 HB3 ARG 54 2HB ARG 54 9.222 3.329 -0.658 386 HG2 ARG 54 1HG ARG 54 11.765 3.371 -0.616 387 HG3 ARG 54 2HG ARG 54 11.607 4.659 0.580 388 HD2 ARG 54 1HD ARG 54 10.064 3.041 1.833 389 HD3 ARG 54 2HD ARG 54 10.722 1.797 0.772 390 HE ARG 54 HE ARG 54 12.077 3.129 2.950 391 HH11 ARG 54 2HH1 ARG 54 12.403 1.222 0.055 392 HH12 ARG 54 1HH1 ARG 54 13.967 0.608 0.479 393 HH21 ARG 54 2HH2 ARG 54 14.135 2.328 3.519 394 HH22 ARG 54 1HH2 ARG 54 14.950 1.237 2.450 395 H MET 55 H MET 55 7.793 6.249 -1.874 396 HA MET 55 HA MET 55 6.684 4.596 -4.046 397 HB2 MET 55 1HB MET 55 4.631 4.464 -3.016 398 HB3 MET 55 2HB MET 55 5.691 4.453 -1.613 399 HG2 MET 55 1HG MET 55 5.266 6.761 -1.186 400 HG3 MET 55 2HG MET 55 4.388 6.932 -2.704 401 HE1 MET 55 1HE MET 55 1.625 7.487 -1.950 402 HE2 MET 55 2HE MET 55 2.278 6.434 -3.205 403 HE3 MET 55 3HE MET 55 0.977 5.860 -2.161 404 H ARG 56 H ARG 56 5.745 5.630 -5.739 405 HA ARG 56 HA ARG 56 5.458 8.552 -5.578 406 HB2 ARG 56 1HB ARG 56 7.100 6.949 -7.462 407 HB3 ARG 56 2HB ARG 56 6.203 8.300 -8.144 408 HG2 ARG 56 1HG ARG 56 8.308 9.168 -7.621 409 HG3 ARG 56 2HG ARG 56 7.256 9.718 -6.315 410 HD2 ARG 56 1HD ARG 56 8.233 8.347 -4.766 411 HD3 ARG 56 2HD ARG 56 8.694 7.140 -5.967 412 HE ARG 56 HE ARG 56 10.700 8.203 -6.186 413 HH11 ARG 56 2HH1 ARG 56 8.422 10.407 -4.746 414 HH12 ARG 56 1HH1 ARG 56 9.601 11.643 -4.457 415 HH21 ARG 56 2HH2 ARG 56 12.262 9.822 -5.811 416 HH22 ARG 56 1HH2 ARG 56 11.785 11.309 -5.064 417 H VAL 57 H VAL 57 4.319 9.317 -7.725 418 HA VAL 57 HA VAL 57 1.813 7.862 -7.823 419 HB VAL 57 HB VAL 57 1.279 10.077 -7.751 420 HG11 VAL 57 1HG1 VAL 57 3.773 10.587 -9.357 421 HG12 VAL 57 2HG1 VAL 57 2.597 11.846 -8.977 422 HG13 VAL 57 3HG1 VAL 57 3.453 11.017 -7.677 423 HG21 VAL 57 1HG2 VAL 57 0.522 10.836 -9.896 424 HG22 VAL 57 2HG2 VAL 57 1.691 9.808 -10.726 425 HG23 VAL 57 3HG2 VAL 57 0.350 9.081 -9.840 426 H GLY 58 H GLY 58 1.303 6.424 -9.334 427 HA2 GLY 58 1HA GLY 58 1.063 6.037 -11.759 428 HA3 GLY 58 2HA GLY 58 2.736 6.554 -11.916 429 H ASP 59 H ASP 59 2.641 4.835 -9.139 430 HA ASP 59 HA ASP 59 3.764 2.492 -10.442 431 HB2 ASP 59 1HB ASP 59 3.552 3.160 -7.498 432 HB3 ASP 59 2HB ASP 59 4.481 1.835 -8.195 433 H GLN 60 H GLN 60 3.224 0.321 -9.377 434 HA GLN 60 HA GLN 60 0.297 0.131 -9.116 435 HB2 GLN 60 1HB GLN 60 1.366 -0.953 -11.126 436 HB3 GLN 60 2HB GLN 60 2.175 -2.054 -10.018 437 HG2 GLN 60 1HG GLN 60 -0.774 -1.798 -9.825 438 HG3 GLN 60 2HG GLN 60 -0.099 -2.675 -11.196 439 HE21 GLN 60 1HE2 GLN 60 -1.437 -3.174 -8.350 440 HE22 GLN 60 2HE2 GLN 60 -0.598 -4.590 -7.825 441 H ILE 61 H ILE 61 -0.437 -0.414 -7.181 442 HA ILE 61 HA ILE 61 1.389 -1.506 -5.196 443 HB ILE 61 HB ILE 61 -1.498 -0.684 -4.864 444 HG12 ILE 61 1HG1 ILE 61 0.842 0.922 -3.902 445 HG13 ILE 61 2HG1 ILE 61 0.319 1.069 -5.577 446 HG21 ILE 61 1HG2 ILE 61 -0.802 -0.529 -2.447 447 HG22 ILE 61 2HG2 ILE 61 -0.896 -2.160 -3.111 448 HG23 ILE 61 3HG2 ILE 61 0.673 -1.382 -2.902 449 HD11 ILE 61 1HD1 ILE 61 -1.568 1.426 -3.275 450 HD12 ILE 61 2HD1 ILE 61 -0.605 2.750 -3.931 451 HD13 ILE 61 3HD1 ILE 61 -1.775 1.919 -4.955 452 H ILE 62 H ILE 62 1.415 -3.561 -4.538 453 HA ILE 62 HA ILE 62 -0.725 -5.342 -5.501 454 HB ILE 62 HB ILE 62 1.222 -7.086 -4.908 455 HG12 ILE 62 1HG1 ILE 62 2.659 -4.977 -4.351 456 HG13 ILE 62 2HG1 ILE 62 3.382 -6.301 -5.257 457 HG21 ILE 62 1HG2 ILE 62 1.081 -5.556 -7.502 458 HG22 ILE 62 2HG2 ILE 62 1.706 -7.189 -7.275 459 HG23 ILE 62 3HG2 ILE 62 -0.010 -6.860 -7.033 460 HD11 ILE 62 1HD1 ILE 62 3.831 -3.943 -6.074 461 HD12 ILE 62 2HD1 ILE 62 3.283 -5.116 -7.272 462 HD13 ILE 62 3HD1 ILE 62 2.153 -3.931 -6.617 463 H GLU 63 H GLU 63 0.736 -4.008 -2.751 464 HA GLU 63 HA GLU 63 -0.821 -5.801 -1.039 465 HB2 GLU 63 1HB GLU 63 1.636 -6.495 -1.144 466 HB3 GLU 63 2HB GLU 63 1.986 -4.995 -0.297 467 HG2 GLU 63 1HG GLU 63 0.514 -5.719 1.538 468 HG3 GLU 63 2HG GLU 63 0.255 -7.246 0.697 469 H ILE 64 H ILE 64 -1.249 -4.911 1.093 470 HA ILE 64 HA ILE 64 -0.746 -2.059 1.430 471 HB ILE 64 HB ILE 64 -3.519 -3.241 1.293 472 HG12 ILE 64 1HG1 ILE 64 -2.256 -0.934 -0.204 473 HG13 ILE 64 2HG1 ILE 64 -2.469 -2.557 -0.853 474 HG21 ILE 64 1HG2 ILE 64 -4.291 -0.958 1.923 475 HG22 ILE 64 2HG2 ILE 64 -3.455 -1.815 3.217 476 HG23 ILE 64 3HG2 ILE 64 -2.620 -0.552 2.313 477 HD11 ILE 64 1HD1 ILE 64 -4.417 -1.860 -1.639 478 HD12 ILE 64 2HD1 ILE 64 -4.993 -1.832 0.028 479 HD13 ILE 64 3HD1 ILE 64 -4.337 -0.368 -0.703 480 H ASN 65 H ASN 65 -0.471 -1.497 3.512 481 HA ASN 65 HA ASN 65 -0.002 -1.843 5.726 482 HB2 ASN 65 1HB ASN 65 -2.876 -2.507 5.318 483 HB3 ASN 65 2HB ASN 65 -2.172 -2.882 6.888 484 HD21 ASN 65 1HD2 ASN 65 -4.217 -1.011 6.457 485 HD22 ASN 65 2HD2 ASN 65 -3.612 0.554 6.869 486 H GLY 66 H GLY 66 0.674 -4.070 3.889 487 HA2 GLY 66 1HA GLY 66 1.800 -6.065 4.264 488 HA3 GLY 66 2HA GLY 66 1.255 -6.024 5.934 489 H GLU 67 H GLU 67 -0.917 -5.767 3.199 490 HA GLU 67 HA GLU 67 -1.827 -8.521 3.686 491 HB2 GLU 67 1HB GLU 67 -4.006 -7.925 4.019 492 HB3 GLU 67 2HB GLU 67 -3.230 -6.491 4.675 493 HG2 GLU 67 1HG GLU 67 -3.612 -5.282 2.641 494 HG3 GLU 67 2HG GLU 67 -4.231 -6.730 1.849 495 H SER 68 H SER 68 -2.493 -9.659 1.910 496 HA SER 68 HA SER 68 -1.572 -8.756 -0.629 497 HB2 SER 68 1HB SER 68 -2.888 -11.220 0.417 498 HB3 SER 68 2HB SER 68 -2.942 -10.932 -1.322 499 HG SER 68 HG SER 68 -0.617 -10.681 -1.197 500 H THR 69 H THR 69 -2.638 -7.084 -1.524 501 HA THR 69 HA THR 69 -5.420 -6.632 -1.313 502 HB THR 69 HB THR 69 -5.139 -4.861 -2.890 503 HG1 THR 69 1HG THR 69 -2.505 -5.561 -3.534 504 HG21 THR 69 1HG2 THR 69 -4.104 -3.801 -1.216 505 HG22 THR 69 2HG2 THR 69 -2.584 -4.208 -2.012 506 HG23 THR 69 3HG2 THR 69 -3.226 -5.256 -0.748 507 H ARG 70 H ARG 70 -6.074 -8.879 -1.883 508 HA ARG 70 HA ARG 70 -6.231 -9.258 -4.799 509 HB2 ARG 70 1HB ARG 70 -5.087 -11.087 -3.669 510 HB3 ARG 70 2HB ARG 70 -6.446 -11.288 -2.570 511 HG2 ARG 70 1HG ARG 70 -7.790 -12.237 -4.196 512 HG3 ARG 70 2HG ARG 70 -6.846 -11.550 -5.519 513 HD2 ARG 70 1HD ARG 70 -5.017 -13.060 -5.041 514 HD3 ARG 70 2HD ARG 70 -5.868 -13.690 -3.632 515 HE ARG 70 HE ARG 70 -7.367 -13.983 -6.052 516 HH11 ARG 70 2HH1 ARG 70 -4.837 -15.372 -4.105 517 HH12 ARG 70 1HH1 ARG 70 -5.069 -16.977 -4.717 518 HH21 ARG 70 2HH2 ARG 70 -7.681 -16.091 -6.865 519 HH22 ARG 70 1HH2 ARG 70 -6.686 -17.384 -6.287 520 H ASP 71 H ASP 71 -8.165 -9.235 -5.768 521 HA ASP 71 HA ASP 71 -10.396 -8.879 -6.066 522 HB2 ASP 71 1HB ASP 71 -10.219 -11.015 -4.000 523 HB3 ASP 71 2HB ASP 71 -11.798 -10.289 -4.283 524 H MET 72 H MET 72 -9.235 -6.808 -4.735 525 HA MET 72 HA MET 72 -11.218 -6.106 -2.672 526 HB2 MET 72 1HB MET 72 -8.538 -4.774 -2.982 527 HB3 MET 72 2HB MET 72 -9.614 -4.752 -1.592 528 HG2 MET 72 1HG MET 72 -9.160 -7.352 -1.651 529 HG3 MET 72 2HG MET 72 -7.695 -6.830 -2.479 530 HE1 MET 72 1HE MET 72 -6.663 -4.547 -1.636 531 HE2 MET 72 2HE MET 72 -7.618 -3.756 -0.382 532 HE3 MET 72 3HE MET 72 -6.046 -4.452 0.014 533 H THR 73 H THR 73 -12.251 -4.134 -2.786 534 HA THR 73 HA THR 73 -12.219 -2.876 -5.417 535 HB THR 73 HB THR 73 -14.261 -1.719 -4.687 536 HG1 THR 73 1HG THR 73 -15.077 -2.706 -2.553 537 HG21 THR 73 1HG2 THR 73 -14.646 -4.577 -3.887 538 HG22 THR 73 2HG2 THR 73 -14.165 -4.182 -5.538 539 HG23 THR 73 3HG2 THR 73 -15.673 -3.545 -4.882 540 H HIS 74 H HIS 74 -11.911 -0.667 -5.752 541 HA HIS 74 HA HIS 74 -9.861 0.628 -4.590 542 HB2 HIS 74 1HB HIS 74 -11.240 1.382 -6.586 543 HB3 HIS 74 2HB HIS 74 -12.341 2.128 -5.432 544 HD1 HIS 74 1HD HIS 74 -11.590 4.353 -6.782 545 HD2 HIS 74 2HD HIS 74 -8.722 2.592 -4.346 546 HE1 HIS 74 1HE HIS 74 -9.831 6.116 -6.430 547 HE2 HIS 74 2HE HIS 74 -8.065 5.000 -5.024 548 H ALA 75 H ALA 75 -13.046 0.281 -3.255 549 HA ALA 75 HA ALA 75 -12.869 2.335 -1.301 550 HB1 ALA 75 1HB ALA 75 -14.800 0.462 -2.144 551 HB2 ALA 75 2HB ALA 75 -14.563 0.215 -0.414 552 HB3 ALA 75 3HB ALA 75 -15.005 1.809 -1.024 553 H ARG 76 H ARG 76 -12.452 -1.200 -1.082 554 HA ARG 76 HA ARG 76 -11.839 -1.468 1.569 555 HB2 ARG 76 1HB ARG 76 -12.010 -3.428 0.238 556 HB3 ARG 76 2HB ARG 76 -10.719 -2.901 -0.833 557 HG2 ARG 76 1HG ARG 76 -10.048 -4.711 0.704 558 HG3 ARG 76 2HG ARG 76 -9.078 -3.247 0.882 559 HD2 ARG 76 1HD ARG 76 -9.920 -2.775 2.949 560 HD3 ARG 76 2HD ARG 76 -11.477 -3.527 2.605 561 HE ARG 76 HE ARG 76 -9.325 -5.414 2.764 562 HH11 ARG 76 2HH1 ARG 76 -11.644 -3.584 4.605 563 HH12 ARG 76 1HH1 ARG 76 -11.650 -4.688 5.941 564 HH21 ARG 76 2HH2 ARG 76 -9.323 -6.874 4.517 565 HH22 ARG 76 1HH2 ARG 76 -10.328 -6.558 5.890 566 H ALA 77 H ALA 77 -9.516 -0.778 -1.043 567 HA ALA 77 HA ALA 77 -7.216 -0.595 0.500 568 HB1 ALA 77 1HB ALA 77 -6.196 0.156 -1.377 569 HB2 ALA 77 2HB ALA 77 -7.702 -0.384 -2.121 570 HB3 ALA 77 3HB ALA 77 -7.470 1.322 -1.737 571 H ILE 78 H ILE 78 -9.554 1.945 -0.334 572 HA ILE 78 HA ILE 78 -8.205 4.054 0.964 573 HB ILE 78 HB ILE 78 -11.156 3.758 0.396 574 HG12 ILE 78 1HG1 ILE 78 -9.284 3.758 -1.483 575 HG13 ILE 78 2HG1 ILE 78 -10.791 4.643 -1.695 576 HG21 ILE 78 1HG2 ILE 78 -10.915 6.352 0.416 577 HG22 ILE 78 2HG2 ILE 78 -11.100 5.474 1.933 578 HG23 ILE 78 3HG2 ILE 78 -9.504 6.023 1.422 579 HD11 ILE 78 1HD1 ILE 78 -9.779 6.655 -1.586 580 HD12 ILE 78 2HD1 ILE 78 -8.562 6.107 -0.433 581 HD13 ILE 78 3HD1 ILE 78 -8.397 5.713 -2.144 582 H GLU 79 H GLU 79 -9.826 1.373 2.218 583 HA GLU 79 HA GLU 79 -10.578 2.685 4.709 584 HB2 GLU 79 1HB GLU 79 -12.224 1.160 4.309 585 HB3 GLU 79 2HB GLU 79 -11.156 0.082 3.421 586 HG2 GLU 79 1HG GLU 79 -11.645 -1.144 5.305 587 HG3 GLU 79 2HG GLU 79 -10.106 -0.398 5.731 588 H LEU 80 H LEU 80 -8.321 0.233 3.525 589 HA LEU 80 HA LEU 80 -7.207 -0.464 6.010 590 HB2 LEU 80 1HB LEU 80 -5.870 -0.483 3.308 591 HB3 LEU 80 2HB LEU 80 -5.357 -1.383 4.734 592 HG LEU 80 HG LEU 80 -7.913 -1.830 3.192 593 HD11 LEU 80 1HD1 LEU 80 -5.376 -3.453 3.335 594 HD12 LEU 80 2HD1 LEU 80 -5.952 -2.538 1.942 595 HD13 LEU 80 3HD1 LEU 80 -6.863 -3.935 2.517 596 HD21 LEU 80 1HD2 LEU 80 -6.755 -3.565 5.355 597 HD22 LEU 80 2HD2 LEU 80 -8.366 -3.625 4.640 598 HD23 LEU 80 3HD2 LEU 80 -7.919 -2.285 5.697 599 H ILE 81 H ILE 81 -6.352 2.036 3.664 600 HA ILE 81 HA ILE 81 -3.950 2.899 4.763 601 HB ILE 81 HB ILE 81 -6.041 4.662 3.483 602 HG12 ILE 81 1HG1 ILE 81 -3.727 3.400 2.042 603 HG13 ILE 81 2HG1 ILE 81 -5.238 2.519 2.242 604 HG21 ILE 81 1HG2 ILE 81 -3.158 4.999 4.158 605 HG22 ILE 81 2HG2 ILE 81 -3.800 5.788 2.718 606 HG23 ILE 81 3HG2 ILE 81 -4.491 6.145 4.301 607 HD11 ILE 81 1HD1 ILE 81 -5.667 5.205 1.254 608 HD12 ILE 81 2HD1 ILE 81 -4.609 4.261 0.205 609 HD13 ILE 81 3HD1 ILE 81 -6.216 3.658 0.610 610 H LYS 82 H LYS 82 -7.254 3.588 5.723 611 HA LYS 82 HA LYS 82 -6.320 5.433 7.795 612 HB2 LYS 82 1HB LYS 82 -8.878 5.641 8.169 613 HB3 LYS 82 2HB LYS 82 -8.164 6.382 6.742 614 HG2 LYS 82 1HG LYS 82 -8.870 4.487 5.388 615 HG3 LYS 82 2HG LYS 82 -9.558 3.712 6.817 616 HD2 LYS 82 1HD LYS 82 -11.236 4.881 5.399 617 HD3 LYS 82 2HD LYS 82 -11.177 5.469 7.062 618 HE2 LYS 82 1HE LYS 82 -9.524 6.810 4.969 619 HE3 LYS 82 2HE LYS 82 -11.252 7.150 5.055 620 HZ1 LYS 82 1HZ LYS 82 -9.166 8.133 6.690 621 HZ2 LYS 82 2HZ LYS 82 -10.294 7.310 7.645 622 HZ3 LYS 82 3HZ LYS 82 -10.795 8.588 6.657 623 H SER 83 H SER 83 -7.238 2.188 7.365 624 HA SER 83 HA SER 83 -8.236 1.730 10.018 625 HB2 SER 83 1HB SER 83 -8.857 0.333 8.028 626 HB3 SER 83 2HB SER 83 -7.216 -0.312 8.031 627 HG SER 83 HG SER 83 -9.071 -1.419 9.256 628 H GLY 84 H GLY 84 -5.132 1.559 8.412 629 HA2 GLY 84 1HA GLY 84 -3.779 0.063 10.413 630 HA3 GLY 84 2HA GLY 84 -3.023 1.066 9.184 631 H GLY 85 H GLY 85 -4.189 3.541 9.873 632 HA2 GLY 85 1HA GLY 85 -4.399 4.781 12.060 633 HA3 GLY 85 2HA GLY 85 -2.883 4.000 12.482 634 H ARG 86 H ARG 86 -1.634 5.806 12.703 635 HA ARG 86 HA ARG 86 -1.621 7.883 10.713 636 HB2 ARG 86 1HB ARG 86 -0.294 7.388 13.315 637 HB3 ARG 86 2HB ARG 86 0.576 8.413 12.182 638 HG2 ARG 86 1HG ARG 86 -1.074 10.046 12.196 639 HG3 ARG 86 2HG ARG 86 -2.299 8.939 12.819 640 HD2 ARG 86 1HD ARG 86 -1.236 8.898 14.977 641 HD3 ARG 86 2HD ARG 86 0.120 9.849 14.371 642 HE ARG 86 HE ARG 86 -2.254 11.291 13.973 643 HH11 ARG 86 2HH1 ARG 86 -0.191 10.189 16.552 644 HH12 ARG 86 1HH1 ARG 86 -0.602 11.496 17.614 645 HH21 ARG 86 2HH2 ARG 86 -2.803 13.015 15.362 646 HH22 ARG 86 1HH2 ARG 86 -2.088 13.102 16.936 647 H ARG 87 H ARG 87 -0.020 4.898 11.159 648 HA ARG 87 HA ARG 87 1.996 5.634 9.140 649 HB2 ARG 87 1HB ARG 87 2.147 3.387 11.156 650 HB3 ARG 87 2HB ARG 87 3.407 3.867 10.027 651 HG2 ARG 87 1HG ARG 87 3.751 5.929 11.170 652 HG3 ARG 87 2HG ARG 87 2.330 5.666 12.183 653 HD2 ARG 87 1HD ARG 87 3.402 3.744 13.218 654 HD3 ARG 87 2HD ARG 87 4.807 3.946 12.172 655 HE ARG 87 HE ARG 87 4.266 6.302 13.676 656 HH11 ARG 87 2HH1 ARG 87 5.676 3.125 13.874 657 HH12 ARG 87 1HH1 ARG 87 6.762 3.544 15.157 658 HH21 ARG 87 2HH2 ARG 87 5.691 6.866 15.365 659 HH22 ARG 87 1HH2 ARG 87 6.769 5.673 16.005 660 H VAL 88 H VAL 88 1.892 4.658 7.224 661 HA VAL 88 HA VAL 88 0.293 2.191 6.994 662 HB VAL 88 HB VAL 88 -0.894 4.143 6.033 663 HG11 VAL 88 1HG1 VAL 88 1.393 5.170 5.301 664 HG12 VAL 88 2HG1 VAL 88 1.111 4.246 3.824 665 HG13 VAL 88 3HG1 VAL 88 -0.057 5.463 4.341 666 HG21 VAL 88 1HG2 VAL 88 0.015 2.231 3.890 667 HG22 VAL 88 2HG2 VAL 88 -1.142 1.811 5.153 668 HG23 VAL 88 3HG2 VAL 88 -1.528 3.080 3.991 669 H ARG 89 H ARG 89 1.002 0.635 5.531 670 HA ARG 89 HA ARG 89 3.528 1.119 4.138 671 HB2 ARG 89 1HB ARG 89 4.309 0.172 6.178 672 HB3 ARG 89 2HB ARG 89 3.043 -1.048 6.177 673 HG2 ARG 89 1HG ARG 89 4.167 -1.803 3.947 674 HG3 ARG 89 2HG ARG 89 5.559 -0.926 4.586 675 HD2 ARG 89 1HD ARG 89 4.070 -3.106 6.046 676 HD3 ARG 89 2HD ARG 89 5.572 -3.337 5.152 677 HE ARG 89 HE ARG 89 5.687 -1.306 7.200 678 HH11 ARG 89 2HH1 ARG 89 6.128 -4.673 6.431 679 HH12 ARG 89 1HH1 ARG 89 7.206 -4.968 7.755 680 HH21 ARG 89 2HH2 ARG 89 7.105 -1.683 8.946 681 HH22 ARG 89 1HH2 ARG 89 7.760 -3.267 9.185 682 H LEU 90 H LEU 90 3.346 0.462 2.108 683 HA LEU 90 HA LEU 90 1.700 -1.896 1.513 684 HB2 LEU 90 1HB LEU 90 1.263 -0.451 -0.701 685 HB3 LEU 90 2HB LEU 90 0.183 -0.455 0.692 686 HG LEU 90 HG LEU 90 2.336 1.578 0.683 687 HD11 LEU 90 1HD1 LEU 90 1.180 1.328 -1.683 688 HD12 LEU 90 2HD1 LEU 90 1.530 2.907 -0.979 689 HD13 LEU 90 3HD1 LEU 90 -0.099 2.238 -0.879 690 HD21 LEU 90 1HD2 LEU 90 0.948 2.670 2.082 691 HD22 LEU 90 2HD2 LEU 90 0.221 1.075 2.276 692 HD23 LEU 90 3HD2 LEU 90 -0.494 2.240 1.161 693 H LEU 91 H LEU 91 2.348 -3.110 -0.284 694 HA LEU 91 HA LEU 91 5.152 -2.829 -0.947 695 HB2 LEU 91 1HB LEU 91 3.977 -5.009 -0.391 696 HB3 LEU 91 2HB LEU 91 3.240 -4.903 -1.988 697 HG LEU 91 HG LEU 91 6.199 -5.099 -1.429 698 HD11 LEU 91 1HD1 LEU 91 4.862 -7.151 -0.940 699 HD12 LEU 91 2HD1 LEU 91 6.063 -7.345 -2.216 700 HD13 LEU 91 3HD1 LEU 91 4.359 -7.157 -2.631 701 HD21 LEU 91 1HD2 LEU 91 4.588 -4.702 -3.905 702 HD22 LEU 91 2HD2 LEU 91 6.060 -5.670 -3.984 703 HD23 LEU 91 3HD2 LEU 91 6.135 -3.994 -3.439 704 H LEU 92 H LEU 92 5.638 -1.380 -2.472 705 HA LEU 92 HA LEU 92 3.990 -1.329 -4.913 706 HB2 LEU 92 1HB LEU 92 4.219 0.754 -3.387 707 HB3 LEU 92 2HB LEU 92 5.825 0.891 -4.099 708 HG LEU 92 HG LEU 92 4.586 0.864 -6.361 709 HD11 LEU 92 1HD1 LEU 92 2.295 2.043 -4.900 710 HD12 LEU 92 2HD1 LEU 92 2.410 0.284 -4.952 711 HD13 LEU 92 3HD1 LEU 92 2.345 1.208 -6.453 712 HD21 LEU 92 1HD2 LEU 92 5.373 2.938 -6.203 713 HD22 LEU 92 2HD2 LEU 92 5.138 2.967 -4.455 714 HD23 LEU 92 3HD2 LEU 92 3.808 3.397 -5.531 715 H LYS 93 H LYS 93 5.057 -1.122 -6.931 716 HA LYS 93 HA LYS 93 7.939 -1.688 -6.915 717 HB2 LYS 93 1HB LYS 93 7.476 -3.276 -8.863 718 HB3 LYS 93 2HB LYS 93 7.060 -3.845 -7.252 719 HG2 LYS 93 1HG LYS 93 5.152 -4.439 -8.296 720 HG3 LYS 93 2HG LYS 93 4.714 -2.768 -7.934 721 HD2 LYS 93 1HD LYS 93 4.220 -2.778 -10.155 722 HD3 LYS 93 2HD LYS 93 5.933 -2.366 -10.268 723 HE2 LYS 93 1HE LYS 93 4.957 -5.207 -10.339 724 HE3 LYS 93 2HE LYS 93 5.072 -4.219 -11.794 725 HZ1 LYS 93 1HZ LYS 93 7.087 -5.331 -11.717 726 HZ2 LYS 93 2HZ LYS 93 7.242 -5.177 -10.040 727 HZ3 LYS 93 3HZ LYS 93 7.471 -3.830 -11.037 728 H ARG 94 H ARG 94 9.061 -0.475 -8.303 729 HA ARG 94 HA ARG 94 7.553 1.058 -10.314 730 HB2 ARG 94 1HB ARG 94 8.609 2.481 -8.661 731 HB3 ARG 94 2HB ARG 94 10.158 1.689 -8.918 732 HG2 ARG 94 1HG ARG 94 10.061 3.871 -10.004 733 HG3 ARG 94 2HG ARG 94 10.259 2.568 -11.178 734 HD2 ARG 94 1HD ARG 94 7.848 2.641 -11.642 735 HD3 ARG 94 2HD ARG 94 7.676 3.966 -10.491 736 HE ARG 94 HE ARG 94 9.546 4.870 -12.239 737 HH11 ARG 94 2HH1 ARG 94 6.331 3.577 -12.583 738 HH12 ARG 94 1HH1 ARG 94 5.975 4.492 -14.010 739 HH21 ARG 94 2HH2 ARG 94 9.089 6.079 -14.118 740 HH22 ARG 94 1HH2 ARG 94 7.545 5.914 -14.883 741 H GLY 95 H GLY 95 7.908 0.630 -12.391 742 HA2 GLY 95 1HA GLY 95 9.919 -1.296 -13.144 743 HA3 GLY 95 2HA GLY 95 8.744 -0.539 -14.210 744 H THR 96 H THR 96 11.368 0.717 -12.152 745 HA THR 96 HA THR 96 12.143 2.571 -14.229 746 HB THR 96 HB THR 96 12.191 3.279 -11.874 747 HG1 THR 96 1HG THR 96 14.881 3.211 -12.745 748 HG21 THR 96 1HG2 THR 96 14.625 1.596 -11.424 749 HG22 THR 96 2HG2 THR 96 13.022 0.913 -11.151 750 HG23 THR 96 3HG2 THR 96 13.541 2.335 -10.246 751 H GLY 97 H GLY 97 13.570 -0.243 -12.597 752 HA2 GLY 97 1HA GLY 97 15.676 -0.272 -14.664 753 HA3 GLY 97 2HA GLY 97 15.841 -0.975 -13.062 754 H SER 98 H SER 98 15.465 -3.087 -12.835 755 HA SER 98 HA SER 98 15.072 -5.254 -13.422 756 HB2 SER 98 1HB SER 98 12.705 -4.138 -13.168 757 HB3 SER 98 2HB SER 98 12.622 -4.384 -14.912 758 HG SER 98 HG SER 98 11.792 -6.200 -13.951 759 H GLY 99 H GLY 99 16.604 -3.582 -15.296 760 HA2 GLY 99 1HA GLY 99 17.726 -4.670 -17.176 761 HA3 GLY 99 2HA GLY 99 16.141 -5.195 -17.727 762 HA PRO 100 HA PRO 100 17.522 -0.979 -19.529 763 HB2 PRO 100 1HB PRO 100 18.511 -1.811 -21.917 764 HB3 PRO 100 2HB PRO 100 19.517 -1.610 -20.478 765 HG2 PRO 100 1HG PRO 100 18.332 -4.107 -21.627 766 HG3 PRO 100 2HG PRO 100 19.959 -3.839 -20.973 767 HD2 PRO 100 1HD PRO 100 17.999 -5.050 -19.551 768 HD3 PRO 100 2HD PRO 100 19.253 -4.050 -18.789 769 H SER 101 H SER 101 15.483 -3.534 -20.090 770 HA SER 101 HA SER 101 14.345 -3.264 -22.547 771 HB2 SER 101 1HB SER 101 13.668 -4.719 -20.456 772 HB3 SER 101 2HB SER 101 12.503 -3.422 -20.192 773 HG SER 101 HG SER 101 12.781 -5.000 -22.535 774 H SER 102 H SER 102 13.568 -1.296 -19.687 775 HA SER 102 HA SER 102 11.585 0.304 -20.697 776 HB2 SER 102 1HB SER 102 12.041 0.668 -18.444 777 HB3 SER 102 2HB SER 102 13.778 0.809 -18.713 778 HG SER 102 HG SER 102 12.141 2.708 -19.924 779 H GLY 103 H GLY 103 11.461 1.541 -22.441 780 HA2 GLY 103 1HA GLY 103 13.387 3.518 -23.086 781 HA3 GLY 103 2HA GLY 103 13.569 2.135 -24.154 Start of MODEL 15 1 H1 GLY 1 H GLY 1 18.824 -15.307 -24.577 2 HA2 GLY 1 1HA GLY 1 16.570 -14.878 -24.420 3 HA3 GLY 1 2HA GLY 1 16.391 -15.616 -26.005 4 H SER 2 H SER 2 15.999 -16.007 -22.628 5 HA SER 2 HA SER 2 15.227 -18.824 -22.997 6 HB2 SER 2 1HB SER 2 16.266 -17.298 -20.629 7 HB3 SER 2 2HB SER 2 15.315 -18.763 -20.388 8 HG SER 2 HG SER 2 16.842 -19.877 -21.663 9 H SER 3 H SER 3 13.405 -19.527 -21.521 10 HA SER 3 HA SER 3 11.017 -18.532 -22.196 11 HB2 SER 3 1HB SER 3 11.077 -20.515 -20.875 12 HB3 SER 3 2HB SER 3 11.833 -19.674 -19.521 13 HG SER 3 HG SER 3 9.328 -18.812 -20.442 14 H GLY 4 H GLY 4 12.990 -17.303 -19.521 15 HA2 GLY 4 1HA GLY 4 13.062 -14.954 -19.036 16 HA3 GLY 4 2HA GLY 4 11.410 -14.822 -19.622 17 H SER 5 H SER 5 13.375 -16.202 -17.015 18 HA SER 5 HA SER 5 11.402 -17.027 -15.286 19 HB2 SER 5 1HB SER 5 13.975 -17.150 -15.044 20 HB3 SER 5 2HB SER 5 13.834 -15.572 -14.269 21 HG SER 5 HG SER 5 12.289 -16.602 -12.830 22 H SER 6 H SER 6 12.899 -13.793 -15.384 23 HA SER 6 HA SER 6 11.122 -12.688 -13.456 24 HB2 SER 6 1HB SER 6 12.881 -11.303 -15.495 25 HB3 SER 6 2HB SER 6 12.090 -10.517 -14.129 26 HG SER 6 HG SER 6 13.893 -12.684 -13.841 27 H GLY 7 H GLY 7 9.092 -12.040 -13.708 28 HA2 GLY 7 1HA GLY 7 7.864 -12.077 -16.315 29 HA3 GLY 7 2HA GLY 7 7.064 -11.739 -14.787 30 H GLN 8 H GLN 8 6.360 -9.733 -14.512 31 HA GLN 8 HA GLN 8 7.709 -7.565 -15.979 32 HB2 GLN 8 1HB GLN 8 4.794 -8.197 -15.731 33 HB3 GLN 8 2HB GLN 8 5.303 -6.523 -15.912 34 HG2 GLN 8 1HG GLN 8 6.507 -7.170 -17.981 35 HG3 GLN 8 2HG GLN 8 5.831 -8.790 -17.818 36 HE21 GLN 8 1HE2 GLN 8 3.933 -9.181 -18.725 37 HE22 GLN 8 2HE2 GLN 8 2.836 -7.987 -19.320 38 H ASP 9 H ASP 9 8.213 -8.415 -13.287 39 HA ASP 9 HA ASP 9 7.115 -6.158 -11.747 40 HB2 ASP 9 1HB ASP 9 7.929 -7.530 -9.747 41 HB3 ASP 9 2HB ASP 9 6.534 -8.152 -10.624 42 H PHE 10 H PHE 10 8.484 -4.494 -11.859 43 HA PHE 10 HA PHE 10 11.197 -4.575 -12.420 44 HB2 PHE 10 1HB PHE 10 10.103 -2.447 -10.616 45 HB3 PHE 10 2HB PHE 10 11.245 -2.298 -11.948 46 HD1 PHE 10 2HD PHE 10 10.257 -2.903 -14.313 47 HD2 PHE 10 1HD PHE 10 7.942 -1.743 -10.935 48 HE1 PHE 10 2HE PHE 10 8.426 -2.220 -15.807 49 HE2 PHE 10 1HE PHE 10 6.106 -1.059 -12.424 50 HZ PHE 10 HZ PHE 10 6.348 -1.296 -14.863 51 H ASP 11 H ASP 11 9.702 -4.112 -9.214 52 HA ASP 11 HA ASP 11 11.560 -5.829 -7.918 53 HB2 ASP 11 1HB ASP 11 12.924 -3.716 -8.392 54 HB3 ASP 11 2HB ASP 11 11.892 -2.917 -7.209 55 H TYR 12 H TYR 12 10.393 -6.704 -6.353 56 HA TYR 12 HA TYR 12 8.010 -5.425 -5.378 57 HB2 TYR 12 1HB TYR 12 9.313 -8.086 -5.008 58 HB3 TYR 12 2HB TYR 12 8.121 -7.566 -3.822 59 HD1 TYR 12 1HD TYR 12 6.157 -6.158 -5.477 60 HD2 TYR 12 2HD TYR 12 8.283 -9.762 -6.247 61 HE1 TYR 12 1HE TYR 12 4.346 -6.901 -6.966 62 HE2 TYR 12 2HE TYR 12 6.478 -10.515 -7.739 63 HH TYR 12 HH TYR 12 4.397 -8.762 -9.137 64 H PHE 13 H PHE 13 8.920 -3.557 -4.373 65 HA PHE 13 HA PHE 13 10.355 -4.087 -1.861 66 HB2 PHE 13 1HB PHE 13 11.271 -1.916 -1.977 67 HB3 PHE 13 2HB PHE 13 11.351 -2.524 -3.627 68 HD1 PHE 13 1HD PHE 13 9.696 -1.737 -5.306 69 HD2 PHE 13 2HD PHE 13 9.996 -0.007 -1.429 70 HE1 PHE 13 1HE PHE 13 8.456 0.236 -6.095 71 HE2 PHE 13 2HE PHE 13 8.756 1.969 -2.211 72 HZ PHE 13 HZ PHE 13 7.984 2.092 -4.546 73 H THR 14 H THR 14 9.780 -2.758 0.005 74 HA THR 14 HA THR 14 6.876 -2.387 0.147 75 HB THR 14 HB THR 14 7.234 -2.342 2.622 76 HG1 THR 14 1HG THR 14 9.474 -1.710 2.528 77 HG21 THR 14 1HG2 THR 14 8.269 -4.852 2.510 78 HG22 THR 14 2HG2 THR 14 7.744 -4.628 0.841 79 HG23 THR 14 3HG2 THR 14 6.588 -4.454 2.161 80 H VAL 15 H VAL 15 6.018 -0.557 1.351 81 HA VAL 15 HA VAL 15 7.738 1.829 1.128 82 HB VAL 15 HB VAL 15 4.747 1.661 0.729 83 HG11 VAL 15 1HG1 VAL 15 5.747 3.767 1.807 84 HG12 VAL 15 2HG1 VAL 15 6.459 4.071 0.222 85 HG13 VAL 15 3HG1 VAL 15 4.706 3.971 0.398 86 HG21 VAL 15 1HG2 VAL 15 7.022 2.077 -1.202 87 HG22 VAL 15 2HG2 VAL 15 5.863 0.748 -1.177 88 HG23 VAL 15 3HG2 VAL 15 5.330 2.375 -1.598 89 H ASP 16 H ASP 16 7.725 3.305 2.781 90 HA ASP 16 HA ASP 16 5.997 2.760 5.091 91 HB2 ASP 16 1HB ASP 16 8.205 1.711 5.496 92 HB3 ASP 16 2HB ASP 16 8.971 3.281 5.273 93 H MET 17 H MET 17 4.905 4.532 5.588 94 HA MET 17 HA MET 17 6.230 7.104 5.685 95 HB2 MET 17 1HB MET 17 3.690 7.176 4.158 96 HB3 MET 17 2HB MET 17 5.125 8.181 4.005 97 HG2 MET 17 1HG MET 17 6.278 6.340 2.868 98 HG3 MET 17 2HG MET 17 4.818 5.363 2.995 99 HE1 MET 17 1HE MET 17 2.283 7.296 0.828 100 HE2 MET 17 2HE MET 17 2.525 6.477 2.371 101 HE3 MET 17 3HE MET 17 2.716 8.228 2.262 102 H GLU 18 H GLU 18 4.613 8.831 6.439 103 HA GLU 18 HA GLU 18 2.783 7.597 8.391 104 HB2 GLU 18 1HB GLU 18 4.737 9.817 8.608 105 HB3 GLU 18 2HB GLU 18 3.215 10.025 9.462 106 HG2 GLU 18 1HG GLU 18 3.649 8.351 10.940 107 HG3 GLU 18 2HG GLU 18 4.654 7.455 9.802 108 H LYS 19 H LYS 19 1.105 9.302 9.174 109 HA LYS 19 HA LYS 19 -0.163 10.386 6.760 110 HB2 LYS 19 1HB LYS 19 -1.246 8.711 8.515 111 HB3 LYS 19 2HB LYS 19 -1.606 10.208 9.364 112 HG2 LYS 19 1HG LYS 19 -2.949 11.007 7.610 113 HG3 LYS 19 2HG LYS 19 -2.339 9.792 6.484 114 HD2 LYS 19 1HD LYS 19 -4.372 8.878 7.030 115 HD3 LYS 19 2HD LYS 19 -3.342 8.121 8.247 116 HE2 LYS 19 1HE LYS 19 -5.007 8.860 9.608 117 HE3 LYS 19 2HE LYS 19 -4.001 10.307 9.603 118 HZ1 LYS 19 1HZ LYS 19 -6.168 11.044 9.186 119 HZ2 LYS 19 2HZ LYS 19 -6.485 9.808 8.078 120 HZ3 LYS 19 3HZ LYS 19 -5.420 11.056 7.669 121 H GLY 20 H GLY 20 -0.670 12.511 6.546 122 HA2 GLY 20 1HA GLY 20 0.468 14.317 8.549 123 HA3 GLY 20 2HA GLY 20 0.016 14.745 6.905 124 H ALA 21 H ALA 21 -1.675 16.046 6.782 125 HA ALA 21 HA ALA 21 -3.545 16.177 9.023 126 HB1 ALA 21 1HB ALA 21 -3.722 18.016 6.688 127 HB2 ALA 21 2HB ALA 21 -4.025 18.327 8.398 128 HB3 ALA 21 3HB ALA 21 -2.369 18.188 7.807 129 H LYS 22 H LYS 22 -3.737 16.121 5.458 130 HA LYS 22 HA LYS 22 -6.467 15.098 5.645 131 HB2 LYS 22 1HB LYS 22 -4.823 16.304 3.445 132 HB3 LYS 22 2HB LYS 22 -6.251 15.354 3.055 133 HG2 LYS 22 1HG LYS 22 -7.503 16.894 4.657 134 HG3 LYS 22 2HG LYS 22 -6.080 17.934 4.573 135 HD2 LYS 22 1HD LYS 22 -7.593 16.981 2.147 136 HD3 LYS 22 2HD LYS 22 -7.923 18.510 2.964 137 HE2 LYS 22 1HE LYS 22 -5.119 17.917 2.173 138 HE3 LYS 22 2HE LYS 22 -6.265 18.348 0.904 139 HZ1 LYS 22 1HZ LYS 22 -6.802 20.258 2.629 140 HZ2 LYS 22 2HZ LYS 22 -5.569 20.408 1.480 141 HZ3 LYS 22 3HZ LYS 22 -5.193 19.980 3.073 142 H GLY 23 H GLY 23 -4.173 13.432 6.364 143 HA2 GLY 23 1HA GLY 23 -4.247 11.032 6.124 144 HA3 GLY 23 2HA GLY 23 -4.661 11.261 4.432 145 H PHE 24 H PHE 24 -2.931 9.772 3.963 146 HA PHE 24 HA PHE 24 -0.221 10.563 4.561 147 HB2 PHE 24 1HB PHE 24 -1.344 8.329 2.860 148 HB3 PHE 24 2HB PHE 24 0.373 8.574 3.158 149 HD1 PHE 24 2HD PHE 24 -2.857 7.920 4.854 150 HD2 PHE 24 1HD PHE 24 1.388 7.704 5.067 151 HE1 PHE 24 2HE PHE 24 -3.032 6.592 6.918 152 HE2 PHE 24 1HE PHE 24 1.220 6.375 7.132 153 HZ PHE 24 HZ PHE 24 -0.992 5.819 8.060 154 H GLY 25 H GLY 25 -1.965 12.327 2.919 155 HA2 GLY 25 1HA GLY 25 -1.927 13.497 0.924 156 HA3 GLY 25 2HA GLY 25 -0.198 13.499 1.240 157 H PHE 26 H PHE 26 -2.297 10.776 0.383 158 HA PHE 26 HA PHE 26 -1.216 10.668 -2.300 159 HB2 PHE 26 1HB PHE 26 0.049 8.756 -2.130 160 HB3 PHE 26 2HB PHE 26 0.340 9.447 -0.537 161 HD1 PHE 26 2HD PHE 26 -2.125 7.211 -2.227 162 HD2 PHE 26 1HD PHE 26 0.160 8.047 1.265 163 HE1 PHE 26 2HE PHE 26 -2.972 5.150 -1.183 164 HE2 PHE 26 1HE PHE 26 -0.683 5.988 2.315 165 HZ PHE 26 HZ PHE 26 -2.252 4.537 1.091 166 H SER 27 H SER 27 -2.655 9.825 -3.683 167 HA SER 27 HA SER 27 -5.012 8.485 -2.535 168 HB2 SER 27 1HB SER 27 -5.303 10.716 -3.740 169 HB3 SER 27 2HB SER 27 -4.897 9.854 -5.224 170 HG SER 27 HG SER 27 -6.706 8.600 -4.982 171 H ILE 28 H ILE 28 -6.110 6.942 -4.054 172 HA ILE 28 HA ILE 28 -4.155 5.477 -5.697 173 HB ILE 28 HB ILE 28 -5.732 3.456 -4.864 174 HG12 ILE 28 1HG1 ILE 28 -5.352 5.038 -2.337 175 HG13 ILE 28 2HG1 ILE 28 -6.818 5.221 -3.294 176 HG21 ILE 28 1HG2 ILE 28 -3.238 3.640 -4.871 177 HG22 ILE 28 2HG2 ILE 28 -3.350 4.414 -3.291 178 HG23 ILE 28 3HG2 ILE 28 -3.905 2.753 -3.501 179 HD11 ILE 28 1HD1 ILE 28 -5.806 2.762 -1.907 180 HD12 ILE 28 2HD1 ILE 28 -7.308 3.643 -1.625 181 HD13 ILE 28 3HD1 ILE 28 -7.092 2.721 -3.113 182 H ARG 29 H ARG 29 -5.304 3.815 -7.121 183 HA ARG 29 HA ARG 29 -7.992 4.599 -7.918 184 HB2 ARG 29 1HB ARG 29 -7.467 5.140 -10.153 185 HB3 ARG 29 2HB ARG 29 -6.293 6.018 -9.182 186 HG2 ARG 29 1HG ARG 29 -4.542 4.688 -9.846 187 HG3 ARG 29 2HG ARG 29 -5.589 3.321 -10.235 188 HD2 ARG 29 1HD ARG 29 -4.803 4.220 -12.294 189 HD3 ARG 29 2HD ARG 29 -6.499 4.675 -12.135 190 HE ARG 29 HE ARG 29 -5.869 6.882 -11.995 191 HH11 ARG 29 2HH1 ARG 29 -3.067 4.840 -11.685 192 HH12 ARG 29 1HH1 ARG 29 -1.938 6.148 -11.813 193 HH21 ARG 29 2HH2 ARG 29 -4.393 8.613 -12.166 194 HH22 ARG 29 1HH2 ARG 29 -2.694 8.293 -12.086 195 H GLY 30 H GLY 30 -8.799 3.142 -9.722 196 HA2 GLY 30 1HA GLY 30 -9.070 1.051 -10.672 197 HA3 GLY 30 2HA GLY 30 -7.466 0.625 -10.097 198 H GLY 31 H GLY 31 -8.691 -1.456 -9.744 199 HA2 GLY 31 1HA GLY 31 -8.831 -2.522 -7.439 200 HA3 GLY 31 2HA GLY 31 -10.146 -1.386 -7.177 201 H ARG 32 H ARG 32 -10.539 -4.093 -6.869 202 HA ARG 32 HA ARG 32 -11.364 -5.606 -8.998 203 HB2 ARG 32 1HB ARG 32 -12.271 -5.401 -6.162 204 HB3 ARG 32 2HB ARG 32 -13.219 -6.380 -7.274 205 HG2 ARG 32 1HG ARG 32 -10.262 -6.737 -6.871 206 HG3 ARG 32 2HG ARG 32 -11.486 -7.613 -5.951 207 HD2 ARG 32 1HD ARG 32 -11.353 -7.616 -8.959 208 HD3 ARG 32 2HD ARG 32 -10.549 -8.821 -7.954 209 HE ARG 32 HE ARG 32 -13.124 -8.878 -7.095 210 HH11 ARG 32 2HH1 ARG 32 -11.602 -9.176 -10.212 211 HH12 ARG 32 1HH1 ARG 32 -12.825 -10.221 -10.855 212 HH21 ARG 32 2HH2 ARG 32 -14.741 -10.254 -7.930 213 HH22 ARG 32 1HH2 ARG 32 -14.611 -10.833 -9.556 214 H GLU 33 H GLU 33 -12.832 -2.747 -7.731 215 HA GLU 33 HA GLU 33 -15.448 -3.105 -8.737 216 HB2 GLU 33 1HB GLU 33 -14.618 -1.382 -7.031 217 HB3 GLU 33 2HB GLU 33 -14.088 -0.438 -8.416 218 HG2 GLU 33 1HG GLU 33 -16.266 0.288 -7.595 219 HG3 GLU 33 2HG GLU 33 -16.356 -0.320 -9.247 220 H TYR 34 H TYR 34 -12.502 -1.775 -10.130 221 HA TYR 34 HA TYR 34 -13.925 -1.338 -12.667 222 HB2 TYR 34 1HB TYR 34 -11.149 -0.347 -12.081 223 HB3 TYR 34 2HB TYR 34 -12.314 0.266 -13.248 224 HD1 TYR 34 1HD TYR 34 -14.364 1.478 -12.383 225 HD2 TYR 34 2HD TYR 34 -11.031 0.548 -9.908 226 HE1 TYR 34 1HE TYR 34 -15.103 3.173 -10.762 227 HE2 TYR 34 2HE TYR 34 -11.761 2.241 -8.279 228 HH TYR 34 HH TYR 34 -14.000 4.600 -8.960 229 H LYS 35 H LYS 35 -12.597 -3.828 -11.355 230 HA LYS 35 HA LYS 35 -11.429 -5.665 -12.026 231 HB2 LYS 35 1HB LYS 35 -12.247 -4.596 -14.732 232 HB3 LYS 35 2HB LYS 35 -11.565 -6.194 -14.463 233 HG2 LYS 35 1HG LYS 35 -14.081 -5.246 -13.121 234 HG3 LYS 35 2HG LYS 35 -14.069 -6.078 -14.678 235 HD2 LYS 35 1HD LYS 35 -12.669 -7.868 -13.429 236 HD3 LYS 35 2HD LYS 35 -13.316 -7.114 -11.970 237 HE2 LYS 35 1HE LYS 35 -15.082 -8.015 -14.228 238 HE3 LYS 35 2HE LYS 35 -14.595 -9.103 -12.929 239 HZ1 LYS 35 1HZ LYS 35 -16.195 -8.268 -11.674 240 HZ2 LYS 35 2HZ LYS 35 -16.672 -7.235 -12.925 241 HZ3 LYS 35 3HZ LYS 35 -15.527 -6.718 -11.792 242 H MET 36 H MET 36 -9.726 -3.735 -11.301 243 HA MET 36 HA MET 36 -7.438 -4.271 -12.983 244 HB2 MET 36 1HB MET 36 -6.808 -1.913 -13.246 245 HB3 MET 36 2HB MET 36 -8.333 -2.266 -14.047 246 HG2 MET 36 1HG MET 36 -9.391 -1.424 -11.833 247 HG3 MET 36 2HG MET 36 -7.817 -0.673 -11.579 248 HE1 MET 36 1HE MET 36 -8.469 2.282 -12.133 249 HE2 MET 36 2HE MET 36 -7.092 1.186 -12.241 250 HE3 MET 36 3HE MET 36 -7.528 2.193 -13.622 251 H ASP 37 H ASP 37 -5.407 -3.484 -11.981 252 HA ASP 37 HA ASP 37 -5.390 -4.079 -9.197 253 HB2 ASP 37 1HB ASP 37 -3.042 -2.781 -10.508 254 HB3 ASP 37 2HB ASP 37 -3.091 -4.125 -9.369 255 H LEU 38 H LEU 38 -4.153 -2.617 -7.640 256 HA LEU 38 HA LEU 38 -5.422 0.009 -7.720 257 HB2 LEU 38 1HB LEU 38 -4.007 -1.513 -5.543 258 HB3 LEU 38 2HB LEU 38 -4.579 0.143 -5.351 259 HG LEU 38 HG LEU 38 -6.544 -1.922 -6.200 260 HD11 LEU 38 1HD1 LEU 38 -4.938 -2.478 -4.049 261 HD12 LEU 38 2HD1 LEU 38 -6.570 -3.097 -4.302 262 HD13 LEU 38 3HD1 LEU 38 -6.315 -1.665 -3.305 263 HD21 LEU 38 1HD2 LEU 38 -7.120 0.473 -5.997 264 HD22 LEU 38 2HD2 LEU 38 -6.706 0.402 -4.284 265 HD23 LEU 38 3HD2 LEU 38 -8.052 -0.554 -4.907 266 H TYR 39 H TYR 39 -4.352 1.738 -8.386 267 HA TYR 39 HA TYR 39 -1.421 1.785 -8.086 268 HB2 TYR 39 1HB TYR 39 -2.813 3.226 -10.321 269 HB3 TYR 39 2HB TYR 39 -1.133 2.711 -10.211 270 HD1 TYR 39 1HD TYR 39 -4.598 1.501 -10.705 271 HD2 TYR 39 2HD TYR 39 -0.453 0.594 -11.019 272 HE1 TYR 39 1HE TYR 39 -5.145 -0.528 -11.983 273 HE2 TYR 39 2HE TYR 39 -0.988 -1.437 -12.299 274 HH TYR 39 HH TYR 39 -3.031 -2.172 -13.816 275 H VAL 40 H VAL 40 -0.532 4.053 -8.186 276 HA VAL 40 HA VAL 40 -1.959 5.676 -6.283 277 HB VAL 40 HB VAL 40 0.641 6.264 -7.705 278 HG11 VAL 40 1HG1 VAL 40 0.795 8.157 -6.526 279 HG12 VAL 40 2HG1 VAL 40 -0.941 7.981 -6.261 280 HG13 VAL 40 3HG1 VAL 40 0.201 7.393 -5.052 281 HG21 VAL 40 1HG2 VAL 40 0.455 5.305 -4.884 282 HG22 VAL 40 2HG2 VAL 40 0.393 4.139 -6.206 283 HG23 VAL 40 3HG2 VAL 40 1.797 5.191 -6.023 284 H LEU 41 H LEU 41 -3.519 7.017 -6.890 285 HA LEU 41 HA LEU 41 -3.910 7.896 -9.551 286 HB2 LEU 41 1HB LEU 41 -5.657 7.629 -7.747 287 HB3 LEU 41 2HB LEU 41 -5.071 9.149 -7.074 288 HG LEU 41 HG LEU 41 -7.102 9.469 -8.390 289 HD11 LEU 41 1HD1 LEU 41 -6.419 11.430 -9.297 290 HD12 LEU 41 2HD1 LEU 41 -5.039 10.702 -10.117 291 HD13 LEU 41 3HD1 LEU 41 -4.956 11.047 -8.390 292 HD21 LEU 41 1HD2 LEU 41 -5.802 7.675 -10.182 293 HD22 LEU 41 2HD2 LEU 41 -6.122 9.189 -11.028 294 HD23 LEU 41 3HD2 LEU 41 -7.444 8.315 -10.252 295 H ARG 42 H ARG 42 -2.977 9.713 -6.625 296 HA ARG 42 HA ARG 42 -1.152 11.341 -8.145 297 HB2 ARG 42 1HB ARG 42 -2.832 12.788 -8.706 298 HB3 ARG 42 2HB ARG 42 -3.822 12.344 -7.322 299 HG2 ARG 42 1HG ARG 42 -1.299 13.867 -6.881 300 HG3 ARG 42 2HG ARG 42 -2.734 14.707 -7.472 301 HD2 ARG 42 1HD ARG 42 -2.887 12.910 -5.082 302 HD3 ARG 42 2HD ARG 42 -2.311 14.568 -4.922 303 HE ARG 42 HE ARG 42 -5.004 13.731 -5.238 304 HH11 ARG 42 2HH1 ARG 42 -2.774 16.262 -6.099 305 HH12 ARG 42 1HH1 ARG 42 -4.005 17.471 -6.259 306 HH21 ARG 42 2HH2 ARG 42 -6.634 15.313 -5.445 307 HH22 ARG 42 1HH2 ARG 42 -6.200 16.930 -5.886 308 H LEU 43 H LEU 43 0.255 12.565 -6.834 309 HA LEU 43 HA LEU 43 0.253 11.720 -4.021 310 HB2 LEU 43 1HB LEU 43 2.362 12.328 -6.008 311 HB3 LEU 43 2HB LEU 43 2.694 12.770 -4.334 312 HG LEU 43 HG LEU 43 2.034 9.999 -5.334 313 HD11 LEU 43 1HD1 LEU 43 4.586 11.411 -4.693 314 HD12 LEU 43 2HD1 LEU 43 4.203 10.336 -6.037 315 HD13 LEU 43 3HD1 LEU 43 4.447 9.674 -4.420 316 HD21 LEU 43 1HD2 LEU 43 2.386 11.171 -2.617 317 HD22 LEU 43 2HD2 LEU 43 2.954 9.529 -2.922 318 HD23 LEU 43 3HD2 LEU 43 1.257 9.937 -3.177 319 H ALA 44 H ALA 44 0.716 13.221 -2.363 320 HA ALA 44 HA ALA 44 -0.268 15.896 -2.937 321 HB1 ALA 44 1HB ALA 44 -1.112 14.582 -1.001 322 HB2 ALA 44 2HB ALA 44 0.488 14.713 -0.270 323 HB3 ALA 44 3HB ALA 44 -0.469 16.165 -0.564 324 H GLU 45 H GLU 45 1.100 17.452 -3.489 325 HA GLU 45 HA GLU 45 3.886 17.290 -3.320 326 HB2 GLU 45 1HB GLU 45 3.889 19.678 -3.890 327 HB3 GLU 45 2HB GLU 45 2.755 18.777 -4.889 328 HG2 GLU 45 1HG GLU 45 0.908 19.710 -3.872 329 HG3 GLU 45 2HG GLU 45 1.798 20.134 -2.411 330 H ASP 46 H ASP 46 1.530 18.264 -0.994 331 HA ASP 46 HA ASP 46 3.689 19.126 0.818 332 HB2 ASP 46 1HB ASP 46 2.067 20.930 0.178 333 HB3 ASP 46 2HB ASP 46 0.795 19.988 0.950 334 H GLY 47 H GLY 47 2.783 16.414 0.384 335 HA2 GLY 47 1HA GLY 47 1.561 15.861 3.017 336 HA3 GLY 47 2HA GLY 47 1.313 14.853 1.600 337 HA PRO 48 HA PRO 48 4.931 13.363 4.278 338 HB2 PRO 48 1HB PRO 48 3.763 11.107 5.234 339 HB3 PRO 48 2HB PRO 48 3.672 12.663 6.068 340 HG2 PRO 48 1HG PRO 48 1.652 11.342 4.298 341 HG3 PRO 48 2HG PRO 48 1.406 12.196 5.832 342 HD2 PRO 48 1HD PRO 48 0.921 13.347 3.429 343 HD3 PRO 48 2HD PRO 48 1.490 14.272 4.833 344 H ALA 49 H ALA 49 2.716 11.983 1.977 345 HA ALA 49 HA ALA 49 4.192 9.633 1.375 346 HB1 ALA 49 1HB ALA 49 1.974 9.531 0.709 347 HB2 ALA 49 2HB ALA 49 2.009 11.142 -0.008 348 HB3 ALA 49 3HB ALA 49 2.823 9.801 -0.813 349 H ILE 50 H ILE 50 3.723 12.526 -0.664 350 HA ILE 50 HA ILE 50 5.660 12.026 -2.540 351 HB ILE 50 HB ILE 50 3.967 14.007 -2.322 352 HG12 ILE 50 1HG1 ILE 50 6.626 14.706 -3.541 353 HG13 ILE 50 2HG1 ILE 50 5.650 13.396 -4.197 354 HG21 ILE 50 1HG2 ILE 50 5.051 14.942 -0.305 355 HG22 ILE 50 2HG2 ILE 50 6.478 15.306 -1.275 356 HG23 ILE 50 3HG2 ILE 50 4.944 16.101 -1.630 357 HD11 ILE 50 1HD1 ILE 50 5.315 16.286 -4.418 358 HD12 ILE 50 2HD1 ILE 50 4.753 14.988 -5.472 359 HD13 ILE 50 3HD1 ILE 50 3.832 15.414 -4.029 360 H ARG 51 H ARG 51 6.086 12.974 0.752 361 HA ARG 51 HA ARG 51 8.805 13.880 0.413 362 HB2 ARG 51 1HB ARG 51 7.161 13.299 2.881 363 HB3 ARG 51 2HB ARG 51 8.802 13.931 2.917 364 HG2 ARG 51 1HG ARG 51 8.102 15.939 1.783 365 HG3 ARG 51 2HG ARG 51 6.470 15.296 1.590 366 HD2 ARG 51 1HD ARG 51 6.406 16.792 3.431 367 HD3 ARG 51 2HD ARG 51 6.341 15.160 4.096 368 HE ARG 51 HE ARG 51 8.969 15.704 4.183 369 HH11 ARG 51 2HH1 ARG 51 6.175 17.503 5.220 370 HH12 ARG 51 1HH1 ARG 51 7.006 18.300 6.515 371 HH21 ARG 51 2HH2 ARG 51 10.075 16.747 5.884 372 HH22 ARG 51 1HH2 ARG 51 9.225 17.869 6.891 373 H ASN 52 H ASN 52 7.156 10.920 1.226 374 HA ASN 52 HA ASN 52 9.251 9.516 2.439 375 HB2 ASN 52 1HB ASN 52 7.344 8.298 2.664 376 HB3 ASN 52 2HB ASN 52 6.705 8.816 1.107 377 HD21 ASN 52 1HD2 ASN 52 6.472 7.232 -0.277 378 HD22 ASN 52 2HD2 ASN 52 7.461 5.820 -0.395 379 H GLY 53 H GLY 53 8.208 9.457 -0.976 380 HA2 GLY 53 1HA GLY 53 9.662 9.481 -2.833 381 HA3 GLY 53 2HA GLY 53 10.993 9.054 -1.768 382 H ARG 54 H ARG 54 10.237 6.801 -0.552 383 HA ARG 54 HA ARG 54 10.844 4.752 -2.184 384 HB2 ARG 54 1HB ARG 54 8.904 4.745 0.128 385 HB3 ARG 54 2HB ARG 54 9.466 3.275 -0.657 386 HG2 ARG 54 1HG ARG 54 11.492 5.210 0.334 387 HG3 ARG 54 2HG ARG 54 10.630 4.209 1.504 388 HD2 ARG 54 1HD ARG 54 11.267 2.231 0.029 389 HD3 ARG 54 2HD ARG 54 12.383 3.334 -0.774 390 HE ARG 54 HE ARG 54 13.075 3.642 1.789 391 HH11 ARG 54 2HH1 ARG 54 12.505 0.783 -0.114 392 HH12 ARG 54 1HH1 ARG 54 13.626 -0.192 0.777 393 HH21 ARG 54 2HH2 ARG 54 14.554 2.369 2.970 394 HH22 ARG 54 1HH2 ARG 54 14.790 0.711 2.532 395 H MET 55 H MET 55 7.785 6.397 -2.052 396 HA MET 55 HA MET 55 6.815 4.671 -4.230 397 HB2 MET 55 1HB MET 55 4.703 4.486 -3.327 398 HB3 MET 55 2HB MET 55 5.686 4.473 -1.869 399 HG2 MET 55 1HG MET 55 3.979 5.937 -1.344 400 HG3 MET 55 2HG MET 55 5.291 7.009 -1.829 401 HE1 MET 55 1HE MET 55 1.165 6.653 -3.470 402 HE2 MET 55 2HE MET 55 1.923 5.814 -2.116 403 HE3 MET 55 3HE MET 55 1.657 7.556 -2.037 404 H ARG 56 H ARG 56 5.806 5.679 -5.931 405 HA ARG 56 HA ARG 56 5.402 8.575 -5.786 406 HB2 ARG 56 1HB ARG 56 7.385 7.154 -7.454 407 HB3 ARG 56 2HB ARG 56 6.430 8.375 -8.284 408 HG2 ARG 56 1HG ARG 56 8.192 9.639 -7.585 409 HG3 ARG 56 2HG ARG 56 7.100 9.845 -6.214 410 HD2 ARG 56 1HD ARG 56 8.289 8.273 -4.910 411 HD3 ARG 56 2HD ARG 56 9.191 7.687 -6.307 412 HE ARG 56 HE ARG 56 9.829 9.941 -4.671 413 HH11 ARG 56 2HH1 ARG 56 10.083 8.628 -7.885 414 HH12 ARG 56 1HH1 ARG 56 11.500 9.541 -8.288 415 HH21 ARG 56 2HH2 ARG 56 11.694 11.149 -5.189 416 HH22 ARG 56 1HH2 ARG 56 12.415 10.974 -6.753 417 H VAL 57 H VAL 57 4.601 9.200 -8.226 418 HA VAL 57 HA VAL 57 2.110 7.753 -8.488 419 HB VAL 57 HB VAL 57 3.132 10.126 -10.054 420 HG11 VAL 57 1HG1 VAL 57 0.972 8.414 -10.572 421 HG12 VAL 57 2HG1 VAL 57 0.276 9.893 -9.907 422 HG13 VAL 57 3HG1 VAL 57 1.320 9.968 -11.327 423 HG21 VAL 57 1HG2 VAL 57 0.965 10.706 -8.274 424 HG22 VAL 57 2HG2 VAL 57 2.287 9.961 -7.376 425 HG23 VAL 57 3HG2 VAL 57 2.578 11.415 -8.331 426 H GLY 58 H GLY 58 1.455 6.513 -10.195 427 HA2 GLY 58 1HA GLY 58 1.601 5.662 -12.407 428 HA3 GLY 58 2HA GLY 58 3.270 6.205 -12.477 429 H ASP 59 H ASP 59 2.457 4.629 -9.579 430 HA ASP 59 HA ASP 59 3.907 2.239 -10.482 431 HB2 ASP 59 1HB ASP 59 3.414 3.265 -7.678 432 HB3 ASP 59 2HB ASP 59 4.348 1.830 -8.091 433 H GLN 60 H GLN 60 3.256 0.214 -9.146 434 HA GLN 60 HA GLN 60 0.315 0.054 -9.065 435 HB2 GLN 60 1HB GLN 60 1.389 -1.081 -11.046 436 HB3 GLN 60 2HB GLN 60 2.159 -2.181 -9.911 437 HG2 GLN 60 1HG GLN 60 -0.789 -1.854 -9.774 438 HG3 GLN 60 2HG GLN 60 -0.105 -2.783 -11.107 439 HE21 GLN 60 1HE2 GLN 60 -1.443 -3.103 -8.193 440 HE22 GLN 60 2HE2 GLN 60 -0.674 -4.549 -7.645 441 H ILE 61 H ILE 61 -0.432 -0.416 -7.116 442 HA ILE 61 HA ILE 61 1.348 -1.491 -5.091 443 HB ILE 61 HB ILE 61 -1.562 -0.774 -4.762 444 HG12 ILE 61 1HG1 ILE 61 0.658 1.080 -3.997 445 HG13 ILE 61 2HG1 ILE 61 0.122 1.041 -5.673 446 HG21 ILE 61 1HG2 ILE 61 -0.557 -0.274 -2.394 447 HG22 ILE 61 2HG2 ILE 61 -0.987 -1.920 -2.858 448 HG23 ILE 61 3HG2 ILE 61 0.696 -1.398 -2.921 449 HD11 ILE 61 1HD1 ILE 61 -0.921 2.774 -4.133 450 HD12 ILE 61 2HD1 ILE 61 -2.014 1.804 -5.122 451 HD13 ILE 61 3HD1 ILE 61 -1.803 1.429 -3.412 452 H ILE 62 H ILE 62 1.452 -3.561 -4.534 453 HA ILE 62 HA ILE 62 -0.609 -5.390 -5.545 454 HB ILE 62 HB ILE 62 1.265 -7.079 -4.654 455 HG12 ILE 62 1HG1 ILE 62 2.633 -5.049 -3.908 456 HG13 ILE 62 2HG1 ILE 62 3.472 -6.262 -4.869 457 HG21 ILE 62 1HG2 ILE 62 0.497 -5.961 -7.167 458 HG22 ILE 62 2HG2 ILE 62 2.234 -6.262 -7.171 459 HG23 ILE 62 3HG2 ILE 62 1.113 -7.575 -6.811 460 HD11 ILE 62 1HD1 ILE 62 3.826 -4.846 -6.568 461 HD12 ILE 62 2HD1 ILE 62 2.244 -4.084 -6.405 462 HD13 ILE 62 3HD1 ILE 62 3.565 -3.611 -5.337 463 H GLU 63 H GLU 63 1.106 -4.448 -2.611 464 HA GLU 63 HA GLU 63 -0.916 -5.918 -1.052 465 HB2 GLU 63 1HB GLU 63 1.397 -6.922 -0.967 466 HB3 GLU 63 2HB GLU 63 1.936 -5.443 -0.182 467 HG2 GLU 63 1HG GLU 63 0.802 -5.896 1.763 468 HG3 GLU 63 2HG GLU 63 -0.365 -6.948 0.964 469 H ILE 64 H ILE 64 -1.424 -5.000 1.038 470 HA ILE 64 HA ILE 64 -0.717 -2.170 1.351 471 HB ILE 64 HB ILE 64 -3.524 -3.277 1.367 472 HG12 ILE 64 1HG1 ILE 64 -2.289 -1.039 -0.250 473 HG13 ILE 64 2HG1 ILE 64 -2.525 -2.680 -0.842 474 HG21 ILE 64 1HG2 ILE 64 -3.082 -1.717 3.259 475 HG22 ILE 64 2HG2 ILE 64 -2.663 -0.479 2.076 476 HG23 ILE 64 3HG2 ILE 64 -4.298 -1.140 2.119 477 HD11 ILE 64 1HD1 ILE 64 -4.622 -2.243 -1.389 478 HD12 ILE 64 2HD1 ILE 64 -4.975 -1.617 0.222 479 HD13 ILE 64 3HD1 ILE 64 -4.302 -0.551 -1.011 480 H ASN 65 H ASN 65 -0.360 -1.554 3.409 481 HA ASN 65 HA ASN 65 0.233 -1.897 5.601 482 HB2 ASN 65 1HB ASN 65 -2.698 -2.341 5.342 483 HB3 ASN 65 2HB ASN 65 -1.955 -2.743 6.888 484 HD21 ASN 65 1HD2 ASN 65 -3.840 -0.604 6.070 485 HD22 ASN 65 2HD2 ASN 65 -3.101 0.869 6.589 486 H GLY 66 H GLY 66 0.611 -4.234 3.790 487 HA2 GLY 66 1HA GLY 66 1.631 -6.286 4.198 488 HA3 GLY 66 2HA GLY 66 1.134 -6.170 5.880 489 H GLU 67 H GLU 67 -1.003 -5.877 3.097 490 HA GLU 67 HA GLU 67 -2.071 -8.553 3.599 491 HB2 GLU 67 1HB GLU 67 -4.188 -7.901 4.160 492 HB3 GLU 67 2HB GLU 67 -3.292 -6.552 4.845 493 HG2 GLU 67 1HG GLU 67 -3.796 -5.175 2.954 494 HG3 GLU 67 2HG GLU 67 -4.532 -6.534 2.105 495 H SER 68 H SER 68 -2.448 -9.597 1.759 496 HA SER 68 HA SER 68 -1.801 -8.693 -0.739 497 HB2 SER 68 1HB SER 68 -3.707 -10.847 0.150 498 HB3 SER 68 2HB SER 68 -3.425 -10.529 -1.562 499 HG SER 68 HG SER 68 -1.357 -11.165 -1.358 500 H THR 69 H THR 69 -2.846 -7.755 -2.457 501 HA THR 69 HA THR 69 -5.525 -6.654 -1.903 502 HB THR 69 HB THR 69 -4.985 -4.622 -2.953 503 HG1 THR 69 1HG THR 69 -3.161 -4.347 -4.233 504 HG21 THR 69 1HG2 THR 69 -3.930 -4.083 -1.053 505 HG22 THR 69 2HG2 THR 69 -2.428 -4.360 -1.935 506 HG23 THR 69 3HG2 THR 69 -3.130 -5.651 -0.961 507 H ARG 70 H ARG 70 -5.545 -9.048 -3.052 508 HA ARG 70 HA ARG 70 -5.532 -8.777 -5.946 509 HB2 ARG 70 1HB ARG 70 -4.675 -10.836 -4.867 510 HB3 ARG 70 2HB ARG 70 -6.284 -11.148 -4.229 511 HG2 ARG 70 1HG ARG 70 -6.212 -12.503 -6.091 512 HG3 ARG 70 2HG ARG 70 -7.021 -11.060 -6.707 513 HD2 ARG 70 1HD ARG 70 -4.046 -11.400 -6.905 514 HD3 ARG 70 2HD ARG 70 -5.133 -12.086 -8.112 515 HE ARG 70 HE ARG 70 -5.926 -9.516 -8.001 516 HH11 ARG 70 2HH1 ARG 70 -2.802 -11.007 -8.365 517 HH12 ARG 70 1HH1 ARG 70 -2.148 -9.710 -9.310 518 HH21 ARG 70 2HH2 ARG 70 -5.077 -7.802 -9.244 519 HH22 ARG 70 1HH2 ARG 70 -3.443 -7.887 -9.808 520 H ASP 71 H ASP 71 -7.920 -10.059 -3.624 521 HA ASP 71 HA ASP 71 -10.057 -9.213 -5.433 522 HB2 ASP 71 1HB ASP 71 -9.840 -11.205 -3.218 523 HB3 ASP 71 2HB ASP 71 -11.423 -10.520 -3.578 524 H MET 72 H MET 72 -9.276 -6.956 -4.651 525 HA MET 72 HA MET 72 -11.035 -6.176 -2.428 526 HB2 MET 72 1HB MET 72 -8.433 -4.759 -2.903 527 HB3 MET 72 2HB MET 72 -9.432 -4.780 -1.456 528 HG2 MET 72 1HG MET 72 -8.822 -7.340 -1.483 529 HG3 MET 72 2HG MET 72 -7.449 -6.765 -2.427 530 HE1 MET 72 1HE MET 72 -6.543 -4.371 -1.711 531 HE2 MET 72 2HE MET 72 -7.429 -3.627 -0.380 532 HE3 MET 72 3HE MET 72 -5.784 -4.211 -0.127 533 H THR 73 H THR 73 -11.823 -3.995 -2.530 534 HA THR 73 HA THR 73 -11.909 -2.972 -5.288 535 HB THR 73 HB THR 73 -14.020 -1.833 -4.598 536 HG1 THR 73 1HG THR 73 -13.610 -3.366 -2.229 537 HG21 THR 73 1HG2 THR 73 -15.380 -3.720 -4.891 538 HG22 THR 73 2HG2 THR 73 -14.248 -4.778 -4.047 539 HG23 THR 73 3HG2 THR 73 -13.855 -4.168 -5.654 540 H HIS 74 H HIS 74 -11.701 -0.759 -5.685 541 HA HIS 74 HA HIS 74 -9.761 0.680 -4.538 542 HB2 HIS 74 1HB HIS 74 -11.258 1.303 -6.531 543 HB3 HIS 74 2HB HIS 74 -12.303 2.080 -5.346 544 HD1 HIS 74 1HD HIS 74 -11.494 4.150 -7.039 545 HD2 HIS 74 2HD HIS 74 -8.785 2.718 -4.233 546 HE1 HIS 74 1HE HIS 74 -9.772 5.965 -6.779 547 HE2 HIS 74 2HE HIS 74 -8.098 5.040 -5.140 548 H ALA 75 H ALA 75 -12.987 0.292 -3.252 549 HA ALA 75 HA ALA 75 -12.862 2.333 -1.293 550 HB1 ALA 75 1HB ALA 75 -14.791 0.580 -2.196 551 HB2 ALA 75 2HB ALA 75 -14.500 0.057 -0.537 552 HB3 ALA 75 3HB ALA 75 -14.964 1.726 -0.867 553 H ARG 76 H ARG 76 -12.276 -1.174 -1.112 554 HA ARG 76 HA ARG 76 -11.712 -1.412 1.574 555 HB2 ARG 76 1HB ARG 76 -11.855 -3.382 0.239 556 HB3 ARG 76 2HB ARG 76 -10.542 -2.852 -0.803 557 HG2 ARG 76 1HG ARG 76 -9.961 -4.661 0.826 558 HG3 ARG 76 2HG ARG 76 -8.926 -3.233 0.887 559 HD2 ARG 76 1HD ARG 76 -9.700 -2.590 2.933 560 HD3 ARG 76 2HD ARG 76 -11.296 -3.291 2.670 561 HE ARG 76 HE ARG 76 -9.202 -5.243 2.927 562 HH11 ARG 76 2HH1 ARG 76 -11.492 -3.254 4.637 563 HH12 ARG 76 1HH1 ARG 76 -11.540 -4.280 6.032 564 HH21 ARG 76 2HH2 ARG 76 -9.257 -6.602 4.758 565 HH22 ARG 76 1HH2 ARG 76 -10.267 -6.184 6.100 566 H ALA 77 H ALA 77 -9.390 -0.727 -1.041 567 HA ALA 77 HA ALA 77 -7.095 -0.490 0.493 568 HB1 ALA 77 1HB ALA 77 -7.290 -0.479 -2.028 569 HB2 ALA 77 2HB ALA 77 -7.670 1.239 -1.899 570 HB3 ALA 77 3HB ALA 77 -6.112 0.635 -1.335 571 H ILE 78 H ILE 78 -9.382 2.075 -0.439 572 HA ILE 78 HA ILE 78 -8.096 4.188 0.866 573 HB ILE 78 HB ILE 78 -11.067 3.870 0.422 574 HG12 ILE 78 1HG1 ILE 78 -9.322 3.704 -1.560 575 HG13 ILE 78 2HG1 ILE 78 -10.814 4.621 -1.739 576 HG21 ILE 78 1HG2 ILE 78 -10.973 6.386 0.354 577 HG22 ILE 78 2HG2 ILE 78 -10.699 5.657 1.935 578 HG23 ILE 78 3HG2 ILE 78 -9.335 6.262 0.996 579 HD11 ILE 78 1HD1 ILE 78 -8.626 5.678 -2.537 580 HD12 ILE 78 2HD1 ILE 78 -9.718 6.662 -1.562 581 HD13 ILE 78 3HD1 ILE 78 -8.288 5.939 -0.826 582 H GLU 79 H GLU 79 -9.747 1.512 2.154 583 HA GLU 79 HA GLU 79 -10.416 2.837 4.659 584 HB2 GLU 79 1HB GLU 79 -12.089 1.334 4.302 585 HB3 GLU 79 2HB GLU 79 -11.059 0.243 3.387 586 HG2 GLU 79 1HG GLU 79 -11.538 -0.971 5.288 587 HG3 GLU 79 2HG GLU 79 -9.961 -0.275 5.656 588 H LEU 80 H LEU 80 -8.226 0.336 3.445 589 HA LEU 80 HA LEU 80 -7.074 -0.389 5.893 590 HB2 LEU 80 1HB LEU 80 -5.849 -0.381 3.139 591 HB3 LEU 80 2HB LEU 80 -5.188 -1.217 4.542 592 HG LEU 80 HG LEU 80 -7.776 -1.841 3.125 593 HD11 LEU 80 1HD1 LEU 80 -6.696 -3.904 2.506 594 HD12 LEU 80 2HD1 LEU 80 -5.247 -3.456 3.405 595 HD13 LEU 80 3HD1 LEU 80 -5.710 -2.544 1.968 596 HD21 LEU 80 1HD2 LEU 80 -8.021 -3.675 4.678 597 HD22 LEU 80 2HD2 LEU 80 -7.941 -2.154 5.567 598 HD23 LEU 80 3HD2 LEU 80 -6.533 -3.216 5.504 599 H ILE 81 H ILE 81 -6.294 2.193 3.625 600 HA ILE 81 HA ILE 81 -3.864 3.012 4.759 601 HB ILE 81 HB ILE 81 -5.888 4.799 3.409 602 HG12 ILE 81 1HG1 ILE 81 -3.599 3.400 2.043 603 HG13 ILE 81 2HG1 ILE 81 -5.180 2.639 2.184 604 HG21 ILE 81 1HG2 ILE 81 -3.827 6.043 2.725 605 HG22 ILE 81 2HG2 ILE 81 -4.174 6.085 4.453 606 HG23 ILE 81 3HG2 ILE 81 -2.915 5.018 3.833 607 HD11 ILE 81 1HD1 ILE 81 -5.262 5.369 1.151 608 HD12 ILE 81 2HD1 ILE 81 -4.382 4.228 0.133 609 HD13 ILE 81 3HD1 ILE 81 -6.059 3.905 0.573 610 H LYS 82 H LYS 82 -7.189 3.707 5.619 611 HA LYS 82 HA LYS 82 -6.318 5.589 7.686 612 HB2 LYS 82 1HB LYS 82 -8.839 5.878 7.991 613 HB3 LYS 82 2HB LYS 82 -8.145 6.462 6.485 614 HG2 LYS 82 1HG LYS 82 -8.882 4.400 5.367 615 HG3 LYS 82 2HG LYS 82 -9.623 3.868 6.878 616 HD2 LYS 82 1HD LYS 82 -11.238 4.896 5.305 617 HD3 LYS 82 2HD LYS 82 -11.138 5.744 6.850 618 HE2 LYS 82 1HE LYS 82 -9.815 7.481 5.897 619 HE3 LYS 82 2HE LYS 82 -9.599 6.576 4.399 620 HZ1 LYS 82 1HZ LYS 82 -12.291 7.362 5.315 621 HZ2 LYS 82 2HZ LYS 82 -11.774 6.974 3.752 622 HZ3 LYS 82 3HZ LYS 82 -11.322 8.446 4.451 623 H SER 83 H SER 83 -7.283 2.339 7.272 624 HA SER 83 HA SER 83 -8.333 1.910 9.898 625 HB2 SER 83 1HB SER 83 -8.929 0.457 7.991 626 HB3 SER 83 2HB SER 83 -7.258 -0.100 7.903 627 HG SER 83 HG SER 83 -8.964 -0.394 10.155 628 H GLY 84 H GLY 84 -5.173 1.675 8.390 629 HA2 GLY 84 1HA GLY 84 -3.900 0.271 10.513 630 HA3 GLY 84 2HA GLY 84 -3.094 1.184 9.246 631 H GLY 85 H GLY 85 -4.219 3.716 9.740 632 HA2 GLY 85 1HA GLY 85 -4.472 5.100 11.834 633 HA3 GLY 85 2HA GLY 85 -2.989 4.315 12.358 634 H ARG 86 H ARG 86 -1.614 6.009 12.464 635 HA ARG 86 HA ARG 86 -1.514 7.987 10.361 636 HB2 ARG 86 1HB ARG 86 -0.296 7.632 13.035 637 HB3 ARG 86 2HB ARG 86 0.656 8.541 11.869 638 HG2 ARG 86 1HG ARG 86 -0.897 10.244 11.727 639 HG3 ARG 86 2HG ARG 86 -2.215 9.227 12.314 640 HD2 ARG 86 1HD ARG 86 -1.272 9.230 14.541 641 HD3 ARG 86 2HD ARG 86 0.130 10.137 13.976 642 HE ARG 86 HE ARG 86 -2.364 11.473 13.491 643 HH11 ARG 86 2HH1 ARG 86 0.160 10.896 15.819 644 HH12 ARG 86 1HH1 ARG 86 -0.141 12.356 16.702 645 HH21 ARG 86 2HH2 ARG 86 -2.770 13.398 14.645 646 HH22 ARG 86 1HH2 ARG 86 -1.809 13.778 16.034 647 H ARG 87 H ARG 87 0.088 5.043 11.166 648 HA ARG 87 HA ARG 87 2.160 5.575 9.144 649 HB2 ARG 87 1HB ARG 87 2.126 3.510 11.352 650 HB3 ARG 87 2HB ARG 87 3.426 3.740 10.190 651 HG2 ARG 87 1HG ARG 87 4.047 5.795 11.117 652 HG3 ARG 87 2HG ARG 87 2.527 5.953 12.000 653 HD2 ARG 87 1HD ARG 87 4.160 5.361 13.602 654 HD3 ARG 87 2HD ARG 87 3.214 3.903 13.302 655 HE ARG 87 HE ARG 87 5.307 3.697 11.577 656 HH11 ARG 87 2HH1 ARG 87 5.018 4.182 15.013 657 HH12 ARG 87 1HH1 ARG 87 6.508 3.378 15.383 658 HH21 ARG 87 2HH2 ARG 87 7.271 2.637 12.052 659 HH22 ARG 87 1HH2 ARG 87 7.789 2.501 13.699 660 H VAL 88 H VAL 88 1.967 4.591 7.250 661 HA VAL 88 HA VAL 88 0.407 2.093 7.110 662 HB VAL 88 HB VAL 88 -0.809 4.009 6.104 663 HG11 VAL 88 1HG1 VAL 88 1.396 5.087 5.325 664 HG12 VAL 88 2HG1 VAL 88 1.242 4.033 3.918 665 HG13 VAL 88 3HG1 VAL 88 -0.016 5.217 4.277 666 HG21 VAL 88 1HG2 VAL 88 -1.421 2.882 4.064 667 HG22 VAL 88 2HG2 VAL 88 0.095 1.981 4.061 668 HG23 VAL 88 3HG2 VAL 88 -1.109 1.677 5.313 669 H ARG 89 H ARG 89 1.099 0.522 5.634 670 HA ARG 89 HA ARG 89 3.635 0.992 4.252 671 HB2 ARG 89 1HB ARG 89 4.402 0.043 6.294 672 HB3 ARG 89 2HB ARG 89 3.124 -1.165 6.294 673 HG2 ARG 89 1HG ARG 89 4.246 -1.943 4.073 674 HG3 ARG 89 2HG ARG 89 5.644 -1.074 4.708 675 HD2 ARG 89 1HD ARG 89 4.137 -3.258 6.144 676 HD3 ARG 89 2HD ARG 89 5.674 -3.461 5.303 677 HE ARG 89 HE ARG 89 5.745 -1.420 7.316 678 HH11 ARG 89 2HH1 ARG 89 6.033 -4.836 6.714 679 HH12 ARG 89 1HH1 ARG 89 7.012 -5.133 8.112 680 HH21 ARG 89 2HH2 ARG 89 7.033 -1.798 9.161 681 HH22 ARG 89 1HH2 ARG 89 7.579 -3.404 9.504 682 H LEU 90 H LEU 90 3.241 0.513 2.200 683 HA LEU 90 HA LEU 90 1.683 -1.912 1.600 684 HB2 LEU 90 1HB LEU 90 1.162 -0.466 -0.575 685 HB3 LEU 90 2HB LEU 90 0.140 -0.441 0.861 686 HG LEU 90 HG LEU 90 2.315 1.567 0.733 687 HD11 LEU 90 1HD1 LEU 90 1.324 2.961 -0.830 688 HD12 LEU 90 2HD1 LEU 90 -0.209 2.092 -0.785 689 HD13 LEU 90 3HD1 LEU 90 1.188 1.372 -1.584 690 HD21 LEU 90 1HD2 LEU 90 0.027 1.073 2.271 691 HD22 LEU 90 2HD2 LEU 90 -0.332 2.516 1.323 692 HD23 LEU 90 3HD2 LEU 90 1.099 2.471 2.354 693 H LEU 91 H LEU 91 2.314 -3.091 -0.223 694 HA LEU 91 HA LEU 91 5.102 -2.760 -0.937 695 HB2 LEU 91 1HB LEU 91 3.904 -4.961 -0.385 696 HB3 LEU 91 2HB LEU 91 3.244 -4.856 -2.015 697 HG LEU 91 HG LEU 91 6.161 -5.072 -1.274 698 HD11 LEU 91 1HD1 LEU 91 4.157 -7.004 -2.398 699 HD12 LEU 91 2HD1 LEU 91 5.188 -7.187 -0.979 700 HD13 LEU 91 3HD1 LEU 91 5.895 -7.228 -2.594 701 HD21 LEU 91 1HD2 LEU 91 6.549 -5.241 -3.686 702 HD22 LEU 91 2HD2 LEU 91 5.864 -3.676 -3.246 703 HD23 LEU 91 3HD2 LEU 91 4.842 -4.912 -3.982 704 H LEU 92 H LEU 92 5.625 -1.419 -2.528 705 HA LEU 92 HA LEU 92 3.909 -1.354 -4.922 706 HB2 LEU 92 1HB LEU 92 3.983 0.732 -3.454 707 HB3 LEU 92 2HB LEU 92 5.645 0.922 -4.010 708 HG LEU 92 HG LEU 92 4.579 0.845 -6.383 709 HD11 LEU 92 1HD1 LEU 92 2.226 2.138 -5.188 710 HD12 LEU 92 2HD1 LEU 92 2.297 0.385 -5.016 711 HD13 LEU 92 3HD1 LEU 92 2.361 1.116 -6.619 712 HD21 LEU 92 1HD2 LEU 92 5.235 2.905 -4.561 713 HD22 LEU 92 2HD2 LEU 92 3.777 3.403 -5.419 714 HD23 LEU 92 3HD2 LEU 92 5.227 2.964 -6.324 715 H LYS 93 H LYS 93 5.005 -0.925 -6.944 716 HA LYS 93 HA LYS 93 7.818 -1.807 -6.910 717 HB2 LYS 93 1HB LYS 93 5.923 -2.249 -9.209 718 HB3 LYS 93 2HB LYS 93 7.473 -3.026 -8.909 719 HG2 LYS 93 1HG LYS 93 6.602 -4.510 -7.421 720 HG3 LYS 93 2HG LYS 93 5.329 -3.406 -6.895 721 HD2 LYS 93 1HD LYS 93 4.724 -5.492 -8.336 722 HD3 LYS 93 2HD LYS 93 3.949 -3.941 -8.668 723 HE2 LYS 93 1HE LYS 93 5.175 -3.594 -10.595 724 HE3 LYS 93 2HE LYS 93 6.481 -4.660 -10.080 725 HZ1 LYS 93 1HZ LYS 93 5.268 -5.728 -11.812 726 HZ2 LYS 93 2HZ LYS 93 3.790 -5.469 -11.033 727 HZ3 LYS 93 3HZ LYS 93 4.917 -6.542 -10.371 728 H ARG 94 H ARG 94 9.270 -0.497 -7.821 729 HA ARG 94 HA ARG 94 8.269 1.795 -9.372 730 HB2 ARG 94 1HB ARG 94 9.397 2.460 -7.331 731 HB3 ARG 94 2HB ARG 94 10.797 1.481 -7.747 732 HG2 ARG 94 1HG ARG 94 11.483 3.610 -8.304 733 HG3 ARG 94 2HG ARG 94 10.922 2.974 -9.852 734 HD2 ARG 94 1HD ARG 94 8.717 4.064 -9.405 735 HD3 ARG 94 2HD ARG 94 9.441 4.822 -7.988 736 HE ARG 94 HE ARG 94 9.835 5.555 -10.742 737 HH11 ARG 94 2HH1 ARG 94 11.153 5.669 -7.522 738 HH12 ARG 94 1HH1 ARG 94 12.125 7.070 -7.829 739 HH21 ARG 94 2HH2 ARG 94 11.110 7.400 -11.159 740 HH22 ARG 94 1HH2 ARG 94 12.099 8.054 -9.898 741 H GLY 95 H GLY 95 9.145 2.298 -11.347 742 HA2 GLY 95 1HA GLY 95 10.493 0.133 -12.712 743 HA3 GLY 95 2HA GLY 95 9.912 1.625 -13.436 744 H THR 96 H THR 96 12.010 1.544 -10.635 745 HA THR 96 HA THR 96 13.896 3.282 -11.855 746 HB THR 96 HB THR 96 13.545 3.334 -9.444 747 HG1 THR 96 1HG THR 96 15.539 4.046 -9.602 748 HG21 THR 96 1HG2 THR 96 14.157 1.562 -7.982 749 HG22 THR 96 2HG2 THR 96 14.914 0.653 -9.291 750 HG23 THR 96 3HG2 THR 96 13.161 0.844 -9.247 751 H GLY 97 H GLY 97 13.853 -0.190 -11.178 752 HA2 GLY 97 1HA GLY 97 16.463 -0.880 -11.714 753 HA3 GLY 97 2HA GLY 97 15.085 -1.901 -12.095 754 H SER 98 H SER 98 13.966 -1.411 -14.180 755 HA SER 98 HA SER 98 15.992 -0.989 -16.239 756 HB2 SER 98 1HB SER 98 13.179 -2.095 -16.389 757 HB3 SER 98 2HB SER 98 14.256 -1.924 -17.775 758 HG SER 98 HG SER 98 14.286 -4.035 -16.799 759 H GLY 99 H GLY 99 16.229 1.203 -16.438 760 HA2 GLY 99 1HA GLY 99 13.816 2.814 -16.896 761 HA3 GLY 99 2HA GLY 99 15.412 3.442 -16.514 762 HA PRO 100 HA PRO 100 14.982 2.336 -21.252 763 HB2 PRO 100 1HB PRO 100 12.542 3.057 -22.200 764 HB3 PRO 100 2HB PRO 100 12.907 1.424 -21.629 765 HG2 PRO 100 1HG PRO 100 11.520 3.662 -20.206 766 HG3 PRO 100 2HG PRO 100 11.102 1.939 -20.257 767 HD2 PRO 100 1HD PRO 100 12.393 3.064 -18.159 768 HD3 PRO 100 2HD PRO 100 12.669 1.384 -18.660 769 H SER 101 H SER 101 14.467 3.910 -23.159 770 HA SER 101 HA SER 101 14.763 5.958 -24.106 771 HB2 SER 101 1HB SER 101 13.651 7.014 -21.495 772 HB3 SER 101 2HB SER 101 13.780 7.911 -23.008 773 HG SER 101 HG SER 101 12.352 5.483 -22.872 774 H SER 102 H SER 102 16.964 4.768 -22.878 775 HA SER 102 HA SER 102 18.500 7.153 -22.124 776 HB2 SER 102 1HB SER 102 18.560 4.481 -20.706 777 HB3 SER 102 2HB SER 102 19.764 5.748 -20.469 778 HG SER 102 HG SER 102 18.024 5.762 -18.917 779 H GLY 103 H GLY 103 20.482 7.303 -23.043 780 HA2 GLY 103 1HA GLY 103 22.421 6.599 -24.132 781 HA3 GLY 103 2HA GLY 103 21.772 4.967 -24.182 Start of MODEL 16 1 H1 GLY 1 H GLY 1 8.261 -21.111 -26.962 2 HA2 GLY 1 1HA GLY 1 9.014 -23.278 -26.587 3 HA3 GLY 1 2HA GLY 1 10.563 -22.459 -26.719 4 H SER 2 H SER 2 11.476 -21.569 -24.696 5 HA SER 2 HA SER 2 10.725 -23.242 -22.388 6 HB2 SER 2 1HB SER 2 13.146 -23.085 -21.724 7 HB3 SER 2 2HB SER 2 12.860 -23.986 -23.213 8 HG SER 2 HG SER 2 13.190 -21.458 -23.888 9 H SER 3 H SER 3 9.514 -20.781 -22.798 10 HA SER 3 HA SER 3 10.737 -19.153 -20.667 11 HB2 SER 3 1HB SER 3 10.974 -17.909 -22.702 12 HB3 SER 3 2HB SER 3 9.305 -18.238 -23.168 13 HG SER 3 HG SER 3 8.635 -16.690 -21.891 14 H GLY 4 H GLY 4 9.476 -20.199 -19.084 15 HA2 GLY 4 1HA GLY 4 6.567 -19.995 -19.323 16 HA3 GLY 4 2HA GLY 4 7.446 -20.883 -18.088 17 H SER 5 H SER 5 5.839 -17.997 -18.866 18 HA SER 5 HA SER 5 6.857 -15.986 -17.413 19 HB2 SER 5 1HB SER 5 4.053 -16.906 -17.832 20 HB3 SER 5 2HB SER 5 4.328 -15.635 -16.641 21 HG SER 5 HG SER 5 5.722 -14.845 -18.626 22 H SER 6 H SER 6 7.831 -16.000 -15.503 23 HA SER 6 HA SER 6 6.661 -17.610 -13.332 24 HB2 SER 6 1HB SER 6 8.911 -17.555 -12.303 25 HB3 SER 6 2HB SER 6 8.940 -18.281 -13.909 26 HG SER 6 HG SER 6 10.433 -16.857 -14.292 27 H GLY 7 H GLY 7 5.491 -15.166 -13.877 28 HA2 GLY 7 1HA GLY 7 4.657 -13.467 -12.523 29 HA3 GLY 7 2HA GLY 7 5.918 -13.818 -11.351 30 H GLN 8 H GLN 8 4.805 -11.493 -13.332 31 HA GLN 8 HA GLN 8 7.439 -10.462 -14.087 32 HB2 GLN 8 1HB GLN 8 6.012 -8.692 -15.266 33 HB3 GLN 8 2HB GLN 8 5.968 -10.327 -15.912 34 HG2 GLN 8 1HG GLN 8 3.846 -10.741 -14.874 35 HG3 GLN 8 2HG GLN 8 3.906 -9.189 -14.040 36 HE21 GLN 8 1HE2 GLN 8 3.087 -7.454 -15.017 37 HE22 GLN 8 2HE2 GLN 8 2.533 -7.399 -16.652 38 H ASP 9 H ASP 9 8.435 -9.120 -12.754 39 HA ASP 9 HA ASP 9 7.036 -6.936 -11.508 40 HB2 ASP 9 1HB ASP 9 7.801 -7.540 -9.194 41 HB3 ASP 9 2HB ASP 9 6.536 -8.584 -9.837 42 H PHE 10 H PHE 10 8.357 -5.229 -11.205 43 HA PHE 10 HA PHE 10 11.046 -5.407 -12.180 44 HB2 PHE 10 1HB PHE 10 9.901 -2.998 -10.791 45 HB3 PHE 10 2HB PHE 10 11.085 -3.061 -12.093 46 HD1 PHE 10 2HD PHE 10 10.011 -4.497 -14.211 47 HD2 PHE 10 1HD PHE 10 7.921 -2.054 -11.421 48 HE1 PHE 10 2HE PHE 10 8.216 -4.157 -15.858 49 HE2 PHE 10 1HE PHE 10 6.122 -1.711 -13.064 50 HZ PHE 10 HZ PHE 10 6.268 -2.762 -15.286 51 H ASP 11 H ASP 11 9.624 -4.487 -9.045 52 HA ASP 11 HA ASP 11 11.717 -5.784 -7.592 53 HB2 ASP 11 1HB ASP 11 11.772 -2.814 -7.955 54 HB3 ASP 11 2HB ASP 11 12.283 -3.498 -6.414 55 H TYR 12 H TYR 12 10.393 -6.764 -6.194 56 HA TYR 12 HA TYR 12 8.006 -5.566 -5.189 57 HB2 TYR 12 1HB TYR 12 9.486 -8.115 -4.624 58 HB3 TYR 12 2HB TYR 12 8.151 -7.620 -3.590 59 HD1 TYR 12 1HD TYR 12 6.249 -6.481 -5.494 60 HD2 TYR 12 2HD TYR 12 8.716 -9.929 -5.852 61 HE1 TYR 12 1HE TYR 12 4.649 -7.453 -7.089 62 HE2 TYR 12 2HE TYR 12 7.123 -10.910 -7.450 63 HH TYR 12 HH TYR 12 4.609 -10.645 -7.938 64 H PHE 13 H PHE 13 8.926 -3.597 -4.315 65 HA PHE 13 HA PHE 13 10.312 -3.970 -1.748 66 HB2 PHE 13 1HB PHE 13 11.197 -1.780 -1.969 67 HB3 PHE 13 2HB PHE 13 11.371 -2.525 -3.555 68 HD1 PHE 13 2HD PHE 13 9.628 0.018 -1.598 69 HD2 PHE 13 1HD PHE 13 10.047 -1.779 -5.434 70 HE1 PHE 13 2HE PHE 13 8.410 1.902 -2.610 71 HE2 PHE 13 1HE PHE 13 8.831 0.102 -6.452 72 HZ PHE 13 HZ PHE 13 8.009 1.945 -5.039 73 H THR 14 H THR 14 9.627 -2.771 0.083 74 HA THR 14 HA THR 14 6.749 -2.244 0.073 75 HB THR 14 HB THR 14 6.929 -2.287 2.539 76 HG1 THR 14 1HG THR 14 9.618 -2.271 1.913 77 HG21 THR 14 1HG2 THR 14 6.416 -4.357 1.393 78 HG22 THR 14 2HG2 THR 14 7.484 -4.692 2.756 79 HG23 THR 14 3HG2 THR 14 8.130 -4.663 1.115 80 H VAL 15 H VAL 15 5.963 -0.420 1.437 81 HA VAL 15 HA VAL 15 7.773 1.901 1.264 82 HB VAL 15 HB VAL 15 4.786 1.970 0.820 83 HG11 VAL 15 1HG1 VAL 15 6.944 4.026 0.891 84 HG12 VAL 15 2HG1 VAL 15 5.573 4.256 -0.196 85 HG13 VAL 15 3HG1 VAL 15 5.305 4.089 1.539 86 HG21 VAL 15 1HG2 VAL 15 5.852 0.790 -1.010 87 HG22 VAL 15 2HG2 VAL 15 5.336 2.390 -1.545 88 HG23 VAL 15 3HG2 VAL 15 7.036 2.085 -1.188 89 H ASP 16 H ASP 16 7.655 3.428 2.902 90 HA ASP 16 HA ASP 16 5.869 2.842 5.156 91 HB2 ASP 16 1HB ASP 16 8.049 1.818 5.659 92 HB3 ASP 16 2HB ASP 16 8.838 3.372 5.402 93 H MET 17 H MET 17 4.713 4.595 5.568 94 HA MET 17 HA MET 17 6.009 7.193 5.699 95 HB2 MET 17 1HB MET 17 3.459 7.185 4.180 96 HB3 MET 17 2HB MET 17 4.854 8.246 4.032 97 HG2 MET 17 1HG MET 17 6.081 6.430 2.910 98 HG3 MET 17 2HG MET 17 4.634 5.430 2.999 99 HE1 MET 17 1HE MET 17 2.389 6.410 2.385 100 HE2 MET 17 2HE MET 17 2.349 8.141 2.046 101 HE3 MET 17 3HE MET 17 2.128 6.979 0.736 102 H GLU 18 H GLU 18 4.199 8.892 6.307 103 HA GLU 18 HA GLU 18 2.460 7.633 8.327 104 HB2 GLU 18 1HB GLU 18 4.348 9.917 8.525 105 HB3 GLU 18 2HB GLU 18 2.826 10.066 9.393 106 HG2 GLU 18 1HG GLU 18 3.335 8.403 10.862 107 HG3 GLU 18 2HG GLU 18 4.371 7.554 9.716 108 H LYS 19 H LYS 19 0.675 9.177 9.047 109 HA LYS 19 HA LYS 19 -0.816 9.936 6.724 110 HB2 LYS 19 1HB LYS 19 -1.708 8.952 8.929 111 HB3 LYS 19 2HB LYS 19 -1.577 10.588 9.562 112 HG2 LYS 19 1HG LYS 19 -3.260 11.392 8.208 113 HG3 LYS 19 2HG LYS 19 -3.068 10.098 7.023 114 HD2 LYS 19 1HD LYS 19 -3.945 9.437 9.802 115 HD3 LYS 19 2HD LYS 19 -5.112 10.099 8.654 116 HE2 LYS 19 1HE LYS 19 -3.375 7.761 7.938 117 HE3 LYS 19 2HE LYS 19 -4.875 7.540 8.836 118 HZ1 LYS 19 1HZ LYS 19 -6.040 7.754 6.980 119 HZ2 LYS 19 2HZ LYS 19 -4.593 7.751 6.105 120 HZ3 LYS 19 3HZ LYS 19 -5.287 9.217 6.586 121 H GLY 20 H GLY 20 -1.737 12.040 6.331 122 HA2 GLY 20 1HA GLY 20 -0.167 14.255 7.490 123 HA3 GLY 20 2HA GLY 20 -0.424 14.136 5.756 124 H ALA 21 H ALA 21 -1.895 15.523 5.064 125 HA ALA 21 HA ALA 21 -3.983 16.443 6.887 126 HB1 ALA 21 1HB ALA 21 -3.471 18.385 5.932 127 HB2 ALA 21 2HB ALA 21 -2.538 17.592 4.662 128 HB3 ALA 21 3HB ALA 21 -4.280 17.797 4.479 129 H LYS 22 H LYS 22 -3.715 15.192 3.560 130 HA LYS 22 HA LYS 22 -6.557 14.450 3.681 131 HB2 LYS 22 1HB LYS 22 -4.799 14.558 1.229 132 HB3 LYS 22 2HB LYS 22 -6.551 14.421 1.280 133 HG2 LYS 22 1HG LYS 22 -4.897 16.807 2.072 134 HG3 LYS 22 2HG LYS 22 -5.955 16.659 0.667 135 HD2 LYS 22 1HD LYS 22 -6.915 16.447 3.516 136 HD3 LYS 22 2HD LYS 22 -6.924 17.948 2.588 137 HE2 LYS 22 1HE LYS 22 -8.364 15.400 1.853 138 HE3 LYS 22 2HE LYS 22 -9.107 16.846 2.534 139 HZ1 LYS 22 1HZ LYS 22 -7.936 17.925 0.448 140 HZ2 LYS 22 2HZ LYS 22 -9.476 17.234 0.347 141 HZ3 LYS 22 3HZ LYS 22 -8.123 16.361 -0.172 142 H GLY 23 H GLY 23 -4.370 12.945 4.942 143 HA2 GLY 23 1HA GLY 23 -4.173 10.652 5.325 144 HA3 GLY 23 2HA GLY 23 -5.052 10.351 3.834 145 H PHE 24 H PHE 24 -1.983 10.574 5.322 146 HA PHE 24 HA PHE 24 0.168 10.494 4.508 147 HB2 PHE 24 1HB PHE 24 -1.166 8.382 2.801 148 HB3 PHE 24 2HB PHE 24 0.557 8.488 3.146 149 HD1 PHE 24 2HD PHE 24 -2.747 7.727 4.545 150 HD2 PHE 24 1HD PHE 24 1.450 7.779 5.247 151 HE1 PHE 24 2HE PHE 24 -3.071 6.351 6.558 152 HE2 PHE 24 1HE PHE 24 1.134 6.402 7.261 153 HZ PHE 24 HZ PHE 24 -1.129 5.687 7.920 154 H GLY 25 H GLY 25 -1.642 12.377 3.079 155 HA2 GLY 25 1HA GLY 25 -1.793 13.509 1.051 156 HA3 GLY 25 2HA GLY 25 -0.052 13.561 1.285 157 H PHE 26 H PHE 26 -2.199 10.854 0.453 158 HA PHE 26 HA PHE 26 -1.149 10.754 -2.243 159 HB2 PHE 26 1HB PHE 26 0.091 8.831 -2.106 160 HB3 PHE 26 2HB PHE 26 0.377 9.460 -0.487 161 HD1 PHE 26 2HD PHE 26 -2.108 7.333 -2.284 162 HD2 PHE 26 1HD PHE 26 0.143 8.004 1.265 163 HE1 PHE 26 2HE PHE 26 -3.009 5.255 -1.324 164 HE2 PHE 26 1HE PHE 26 -0.755 5.927 2.232 165 HZ PHE 26 HZ PHE 26 -2.334 4.550 0.937 166 H SER 27 H SER 27 -2.447 9.617 -3.651 167 HA SER 27 HA SER 27 -4.878 8.423 -2.488 168 HB2 SER 27 1HB SER 27 -5.166 10.680 -3.651 169 HB3 SER 27 2HB SER 27 -4.791 9.837 -5.154 170 HG SER 27 HG SER 27 -6.576 8.463 -4.728 171 H ILE 28 H ILE 28 -5.967 6.853 -3.925 172 HA ILE 28 HA ILE 28 -4.031 5.409 -5.615 173 HB ILE 28 HB ILE 28 -5.678 3.415 -4.858 174 HG12 ILE 28 1HG1 ILE 28 -5.339 4.960 -2.301 175 HG13 ILE 28 2HG1 ILE 28 -6.777 5.169 -3.295 176 HG21 ILE 28 1HG2 ILE 28 -3.415 4.160 -3.049 177 HG22 ILE 28 2HG2 ILE 28 -3.882 2.573 -3.659 178 HG23 ILE 28 3HG2 ILE 28 -3.115 3.741 -4.735 179 HD11 ILE 28 1HD1 ILE 28 -7.373 3.580 -1.698 180 HD12 ILE 28 2HD1 ILE 28 -7.029 2.638 -3.149 181 HD13 ILE 28 3HD1 ILE 28 -5.840 2.721 -1.849 182 H ARG 29 H ARG 29 -5.177 3.810 -7.105 183 HA ARG 29 HA ARG 29 -7.826 4.671 -7.952 184 HB2 ARG 29 1HB ARG 29 -7.234 5.253 -10.156 185 HB3 ARG 29 2HB ARG 29 -6.055 6.072 -9.141 186 HG2 ARG 29 1HG ARG 29 -4.327 4.761 -9.844 187 HG3 ARG 29 2HG ARG 29 -5.370 3.378 -10.184 188 HD2 ARG 29 1HD ARG 29 -4.685 4.157 -12.290 189 HD3 ARG 29 2HD ARG 29 -6.325 4.771 -12.087 190 HE ARG 29 HE ARG 29 -4.214 6.580 -11.281 191 HH11 ARG 29 2HH1 ARG 29 -6.353 5.538 -13.823 192 HH12 ARG 29 1HH1 ARG 29 -6.244 7.027 -14.703 193 HH21 ARG 29 2HH2 ARG 29 -4.063 8.545 -12.430 194 HH22 ARG 29 1HH2 ARG 29 -4.941 8.736 -13.909 195 H GLY 30 H GLY 30 -8.766 3.226 -9.585 196 HA2 GLY 30 1HA GLY 30 -9.033 1.172 -10.643 197 HA3 GLY 30 2HA GLY 30 -7.436 0.704 -10.079 198 H GLY 31 H GLY 31 -8.479 -1.372 -9.639 199 HA2 GLY 31 1HA GLY 31 -8.705 -2.456 -7.390 200 HA3 GLY 31 2HA GLY 31 -10.008 -1.311 -7.110 201 H ARG 32 H ARG 32 -10.809 -3.718 -6.682 202 HA ARG 32 HA ARG 32 -11.526 -5.357 -8.826 203 HB2 ARG 32 1HB ARG 32 -12.522 -5.003 -6.033 204 HB3 ARG 32 2HB ARG 32 -13.467 -5.984 -7.144 205 HG2 ARG 32 1HG ARG 32 -10.545 -6.447 -6.609 206 HG3 ARG 32 2HG ARG 32 -11.841 -7.237 -5.708 207 HD2 ARG 32 1HD ARG 32 -11.637 -7.356 -8.706 208 HD3 ARG 32 2HD ARG 32 -10.852 -8.532 -7.653 209 HE ARG 32 HE ARG 32 -13.428 -8.548 -6.812 210 HH11 ARG 32 2HH1 ARG 32 -11.906 -8.926 -9.920 211 HH12 ARG 32 1HH1 ARG 32 -13.138 -9.974 -10.541 212 HH21 ARG 32 2HH2 ARG 32 -15.057 -9.926 -7.619 213 HH22 ARG 32 1HH2 ARG 32 -14.931 -10.541 -9.232 214 H GLU 33 H GLU 33 -12.808 -2.345 -7.799 215 HA GLU 33 HA GLU 33 -15.439 -2.601 -8.823 216 HB2 GLU 33 1HB GLU 33 -13.797 -0.088 -8.462 217 HB3 GLU 33 2HB GLU 33 -15.543 -0.169 -8.649 218 HG2 GLU 33 1HG GLU 33 -14.153 -1.569 -6.398 219 HG3 GLU 33 2HG GLU 33 -14.584 0.137 -6.298 220 H TYR 34 H TYR 34 -12.373 -1.640 -10.234 221 HA TYR 34 HA TYR 34 -13.719 -1.271 -12.827 222 HB2 TYR 34 1HB TYR 34 -10.917 -0.347 -12.292 223 HB3 TYR 34 2HB TYR 34 -12.089 0.271 -13.452 224 HD1 TYR 34 2HD TYR 34 -10.983 0.349 -9.961 225 HD2 TYR 34 1HD TYR 34 -13.789 1.864 -12.777 226 HE1 TYR 34 2HE TYR 34 -11.604 2.125 -8.377 227 HE2 TYR 34 1HE TYR 34 -14.417 3.646 -11.202 228 HH TYR 34 HH TYR 34 -14.352 4.080 -8.792 229 H LYS 35 H LYS 35 -12.436 -3.675 -11.264 230 HA LYS 35 HA LYS 35 -11.340 -5.601 -11.782 231 HB2 LYS 35 1HB LYS 35 -12.004 -4.723 -14.599 232 HB3 LYS 35 2HB LYS 35 -11.448 -6.330 -14.149 233 HG2 LYS 35 1HG LYS 35 -13.682 -6.716 -14.202 234 HG3 LYS 35 2HG LYS 35 -13.529 -6.199 -12.521 235 HD2 LYS 35 1HD LYS 35 -14.125 -3.900 -13.217 236 HD3 LYS 35 2HD LYS 35 -14.368 -4.489 -14.863 237 HE2 LYS 35 1HE LYS 35 -16.514 -4.616 -14.111 238 HE3 LYS 35 2HE LYS 35 -15.949 -6.210 -13.611 239 HZ1 LYS 35 1HZ LYS 35 -15.849 -3.855 -11.819 240 HZ2 LYS 35 2HZ LYS 35 -15.690 -5.487 -11.405 241 HZ3 LYS 35 3HZ LYS 35 -17.192 -4.881 -11.894 242 H MET 36 H MET 36 -9.612 -3.633 -11.166 243 HA MET 36 HA MET 36 -7.289 -4.367 -12.728 244 HB2 MET 36 1HB MET 36 -6.585 -2.019 -13.086 245 HB3 MET 36 2HB MET 36 -8.044 -2.436 -13.976 246 HG2 MET 36 1HG MET 36 -9.277 -1.435 -11.932 247 HG3 MET 36 2HG MET 36 -7.726 -0.674 -11.589 248 HE1 MET 36 1HE MET 36 -8.062 2.028 -12.176 249 HE2 MET 36 2HE MET 36 -6.679 1.071 -12.704 250 HE3 MET 36 3HE MET 36 -7.447 2.201 -13.820 251 H ASP 37 H ASP 37 -5.270 -3.666 -11.710 252 HA ASP 37 HA ASP 37 -5.317 -4.068 -8.915 253 HB2 ASP 37 1HB ASP 37 -3.127 -3.126 -10.772 254 HB3 ASP 37 2HB ASP 37 -2.871 -3.450 -9.060 255 H LEU 38 H LEU 38 -4.125 -2.532 -7.390 256 HA LEU 38 HA LEU 38 -5.402 0.084 -7.620 257 HB2 LEU 38 1HB LEU 38 -4.046 -1.309 -5.319 258 HB3 LEU 38 2HB LEU 38 -4.705 0.323 -5.233 259 HG LEU 38 HG LEU 38 -6.519 -1.886 -6.064 260 HD11 LEU 38 1HD1 LEU 38 -6.732 -2.852 -4.028 261 HD12 LEU 38 2HD1 LEU 38 -6.279 -1.387 -3.159 262 HD13 LEU 38 3HD1 LEU 38 -5.034 -2.390 -3.903 263 HD21 LEU 38 1HD2 LEU 38 -6.819 0.795 -5.600 264 HD22 LEU 38 2HD2 LEU 38 -7.355 0.085 -4.077 265 HD23 LEU 38 3HD2 LEU 38 -8.119 -0.397 -5.592 266 H TYR 39 H TYR 39 -4.287 1.719 -8.431 267 HA TYR 39 HA TYR 39 -1.362 1.744 -8.083 268 HB2 TYR 39 1HB TYR 39 -2.823 3.291 -10.208 269 HB3 TYR 39 2HB TYR 39 -1.128 2.819 -10.161 270 HD1 TYR 39 1HD TYR 39 -4.570 1.519 -10.602 271 HD2 TYR 39 2HD TYR 39 -0.411 0.774 -11.101 272 HE1 TYR 39 1HE TYR 39 -5.094 -0.467 -11.955 273 HE2 TYR 39 2HE TYR 39 -0.923 -1.213 -12.456 274 HH TYR 39 HH TYR 39 -4.253 -2.050 -13.305 275 H VAL 40 H VAL 40 -0.397 3.962 -8.050 276 HA VAL 40 HA VAL 40 -1.770 5.552 -6.072 277 HB VAL 40 HB VAL 40 0.893 6.030 -7.419 278 HG11 VAL 40 1HG1 VAL 40 0.406 8.097 -6.562 279 HG12 VAL 40 2HG1 VAL 40 -0.599 7.446 -5.266 280 HG13 VAL 40 3HG1 VAL 40 1.158 7.345 -5.156 281 HG21 VAL 40 1HG2 VAL 40 1.708 4.423 -6.122 282 HG22 VAL 40 2HG2 VAL 40 1.158 5.301 -4.695 283 HG23 VAL 40 3HG2 VAL 40 0.101 4.117 -5.464 284 H LEU 41 H LEU 41 -3.495 6.579 -7.007 285 HA LEU 41 HA LEU 41 -3.763 7.699 -9.476 286 HB2 LEU 41 1HB LEU 41 -5.500 7.564 -7.685 287 HB3 LEU 41 2HB LEU 41 -4.761 8.979 -6.938 288 HG LEU 41 HG LEU 41 -6.765 9.569 -8.200 289 HD11 LEU 41 1HD1 LEU 41 -4.568 10.985 -8.092 290 HD12 LEU 41 2HD1 LEU 41 -5.907 11.485 -9.124 291 HD13 LEU 41 3HD1 LEU 41 -4.517 10.658 -9.825 292 HD21 LEU 41 1HD2 LEU 41 -5.660 7.768 -10.115 293 HD22 LEU 41 2HD2 LEU 41 -5.853 9.353 -10.865 294 HD23 LEU 41 3HD2 LEU 41 -7.238 8.556 -10.115 295 H ARG 42 H ARG 42 -2.810 9.590 -6.601 296 HA ARG 42 HA ARG 42 -0.828 11.023 -8.149 297 HB2 ARG 42 1HB ARG 42 -1.747 13.196 -7.915 298 HB3 ARG 42 2HB ARG 42 -3.041 12.188 -8.550 299 HG2 ARG 42 1HG ARG 42 -4.186 13.303 -6.937 300 HG3 ARG 42 2HG ARG 42 -3.618 11.928 -5.987 301 HD2 ARG 42 1HD ARG 42 -1.890 13.193 -5.003 302 HD3 ARG 42 2HD ARG 42 -2.064 14.492 -6.182 303 HE ARG 42 HE ARG 42 -3.548 14.155 -3.764 304 HH11 ARG 42 2HH1 ARG 42 -3.692 15.415 -7.006 305 HH12 ARG 42 1HH1 ARG 42 -4.908 16.592 -6.634 306 HH21 ARG 42 2HH2 ARG 42 -5.150 15.700 -3.262 307 HH22 ARG 42 1HH2 ARG 42 -5.736 16.753 -4.504 308 H LEU 43 H LEU 43 0.114 12.857 -6.666 309 HA LEU 43 HA LEU 43 0.246 11.851 -3.902 310 HB2 LEU 43 1HB LEU 43 2.421 12.396 -5.844 311 HB3 LEU 43 2HB LEU 43 2.706 12.832 -4.161 312 HG LEU 43 HG LEU 43 1.988 10.070 -5.143 313 HD11 LEU 43 1HD1 LEU 43 4.288 9.489 -4.703 314 HD12 LEU 43 2HD1 LEU 43 4.638 11.136 -4.181 315 HD13 LEU 43 3HD1 LEU 43 4.226 10.814 -5.865 316 HD21 LEU 43 1HD2 LEU 43 1.215 10.261 -2.931 317 HD22 LEU 43 2HD2 LEU 43 2.621 11.202 -2.432 318 HD23 LEU 43 3HD2 LEU 43 2.793 9.486 -2.804 319 H ALA 44 H ALA 44 0.671 13.398 -2.284 320 HA ALA 44 HA ALA 44 -0.272 16.058 -2.961 321 HB1 ALA 44 1HB ALA 44 -0.842 16.297 -0.769 322 HB2 ALA 44 2HB ALA 44 -0.856 14.536 -0.873 323 HB3 ALA 44 3HB ALA 44 0.541 15.368 -0.191 324 H GLU 45 H GLU 45 1.049 17.680 -3.424 325 HA GLU 45 HA GLU 45 3.840 17.513 -3.355 326 HB2 GLU 45 1HB GLU 45 3.836 19.899 -3.869 327 HB3 GLU 45 2HB GLU 45 2.621 19.058 -4.821 328 HG2 GLU 45 1HG GLU 45 0.950 19.777 -3.055 329 HG3 GLU 45 2HG GLU 45 2.211 20.851 -2.452 330 H ASP 46 H ASP 46 1.551 18.472 -0.938 331 HA ASP 46 HA ASP 46 3.770 19.256 0.837 332 HB2 ASP 46 1HB ASP 46 2.154 21.082 0.349 333 HB3 ASP 46 2HB ASP 46 0.871 20.094 1.041 334 H GLY 47 H GLY 47 2.826 16.550 0.320 335 HA2 GLY 47 1HA GLY 47 1.672 15.891 2.958 336 HA3 GLY 47 2HA GLY 47 1.473 14.906 1.516 337 HA PRO 48 HA PRO 48 5.138 13.512 4.187 338 HB2 PRO 48 1HB PRO 48 4.053 11.204 5.117 339 HB3 PRO 48 2HB PRO 48 3.907 12.746 5.969 340 HG2 PRO 48 1HG PRO 48 1.933 11.374 4.184 341 HG3 PRO 48 2HG PRO 48 1.659 12.202 5.729 342 HD2 PRO 48 1HD PRO 48 1.131 13.362 3.340 343 HD3 PRO 48 2HD PRO 48 1.668 14.291 4.754 344 H ALA 49 H ALA 49 2.930 11.987 1.942 345 HA ALA 49 HA ALA 49 4.510 9.736 1.292 346 HB1 ALA 49 1HB ALA 49 3.115 9.709 -0.807 347 HB2 ALA 49 2HB ALA 49 2.215 9.678 0.710 348 HB3 ALA 49 3HB ALA 49 2.339 11.177 -0.211 349 H ILE 50 H ILE 50 3.896 12.595 -0.753 350 HA ILE 50 HA ILE 50 5.814 12.203 -2.654 351 HB ILE 50 HB ILE 50 4.087 14.143 -2.353 352 HG12 ILE 50 1HG1 ILE 50 6.708 14.915 -3.612 353 HG13 ILE 50 2HG1 ILE 50 5.731 13.613 -4.281 354 HG21 ILE 50 1HG2 ILE 50 6.597 15.384 -1.232 355 HG22 ILE 50 2HG2 ILE 50 5.145 16.265 -1.703 356 HG23 ILE 50 3HG2 ILE 50 5.084 15.116 -0.367 357 HD11 ILE 50 1HD1 ILE 50 5.290 16.525 -4.309 358 HD12 ILE 50 2HD1 ILE 50 4.892 15.298 -5.513 359 HD13 ILE 50 3HD1 ILE 50 3.861 15.513 -4.099 360 H ARG 51 H ARG 51 6.298 13.056 0.651 361 HA ARG 51 HA ARG 51 9.012 13.989 0.247 362 HB2 ARG 51 1HB ARG 51 7.439 13.454 2.773 363 HB3 ARG 51 2HB ARG 51 9.056 14.144 2.727 364 HG2 ARG 51 1HG ARG 51 8.308 16.139 1.775 365 HG3 ARG 51 2HG ARG 51 6.774 15.425 1.269 366 HD2 ARG 51 1HD ARG 51 6.540 16.931 3.212 367 HD3 ARG 51 2HD ARG 51 6.038 15.278 3.561 368 HE ARG 51 HE ARG 51 8.608 15.302 4.372 369 HH11 ARG 51 2HH1 ARG 51 5.905 17.401 5.011 370 HH12 ARG 51 1HH1 ARG 51 6.455 17.841 6.595 371 HH21 ARG 51 2HH2 ARG 51 9.342 15.873 6.455 372 HH22 ARG 51 1HH2 ARG 51 8.410 16.972 7.414 373 H ASN 52 H ASN 52 7.349 11.071 1.206 374 HA ASN 52 HA ASN 52 9.459 9.680 2.398 375 HB2 ASN 52 1HB ASN 52 7.588 8.443 2.705 376 HB3 ASN 52 2HB ASN 52 6.859 8.995 1.201 377 HD21 ASN 52 1HD2 ASN 52 6.422 7.356 -0.068 378 HD22 ASN 52 2HD2 ASN 52 7.413 5.963 -0.318 379 H GLY 53 H GLY 53 8.288 9.357 -0.964 380 HA2 GLY 53 1HA GLY 53 9.742 9.393 -2.856 381 HA3 GLY 53 2HA GLY 53 11.070 8.923 -1.804 382 H ARG 54 H ARG 54 10.282 6.720 -0.556 383 HA ARG 54 HA ARG 54 10.791 4.607 -2.072 384 HB2 ARG 54 1HB ARG 54 8.796 4.856 0.159 385 HB3 ARG 54 2HB ARG 54 9.062 3.310 -0.634 386 HG2 ARG 54 1HG ARG 54 11.409 4.828 0.390 387 HG3 ARG 54 2HG ARG 54 10.381 3.955 1.527 388 HD2 ARG 54 1HD ARG 54 11.897 2.319 1.019 389 HD3 ARG 54 2HD ARG 54 10.679 2.006 -0.216 390 HE ARG 54 HE ARG 54 12.187 2.642 -1.817 391 HH11 ARG 54 2HH1 ARG 54 13.323 3.683 1.305 392 HH12 ARG 54 1HH1 ARG 54 14.876 4.180 0.719 393 HH21 ARG 54 2HH2 ARG 54 14.228 3.294 -2.601 394 HH22 ARG 54 1HH2 ARG 54 15.389 3.959 -1.503 395 H MET 55 H MET 55 7.694 6.271 -2.028 396 HA MET 55 HA MET 55 6.865 4.640 -4.338 397 HB2 MET 55 1HB MET 55 4.618 4.656 -3.613 398 HB3 MET 55 2HB MET 55 5.563 4.264 -2.183 399 HG2 MET 55 1HG MET 55 5.385 6.567 -1.418 400 HG3 MET 55 2HG MET 55 4.466 6.982 -2.863 401 HE1 MET 55 1HE MET 55 0.989 6.131 -2.198 402 HE2 MET 55 2HE MET 55 1.882 7.630 -1.941 403 HE3 MET 55 3HE MET 55 2.253 6.608 -3.331 404 H ARG 56 H ARG 56 5.900 5.695 -6.056 405 HA ARG 56 HA ARG 56 5.633 8.609 -5.886 406 HB2 ARG 56 1HB ARG 56 7.509 7.080 -7.595 407 HB3 ARG 56 2HB ARG 56 6.647 8.400 -8.374 408 HG2 ARG 56 1HG ARG 56 8.599 9.400 -7.638 409 HG3 ARG 56 2HG ARG 56 7.439 9.811 -6.373 410 HD2 ARG 56 1HD ARG 56 8.430 8.456 -4.834 411 HD3 ARG 56 2HD ARG 56 8.981 7.301 -6.046 412 HE ARG 56 HE ARG 56 10.385 9.641 -5.101 413 HH11 ARG 56 2HH1 ARG 56 10.100 7.241 -7.607 414 HH12 ARG 56 1HH1 ARG 56 11.729 7.441 -8.163 415 HH21 ARG 56 2HH2 ARG 56 12.531 9.913 -5.824 416 HH22 ARG 56 1HH2 ARG 56 13.111 8.960 -7.148 417 H VAL 57 H VAL 57 4.804 9.342 -8.243 418 HA VAL 57 HA VAL 57 2.255 8.033 -8.530 419 HB VAL 57 HB VAL 57 3.436 10.354 -10.062 420 HG11 VAL 57 1HG1 VAL 57 1.743 10.068 -11.476 421 HG12 VAL 57 2HG1 VAL 57 1.047 8.789 -10.480 422 HG13 VAL 57 3HG1 VAL 57 0.655 10.477 -10.150 423 HG21 VAL 57 1HG2 VAL 57 2.309 11.792 -8.605 424 HG22 VAL 57 2HG2 VAL 57 1.292 10.500 -7.966 425 HG23 VAL 57 3HG2 VAL 57 3.002 10.568 -7.540 426 H GLY 58 H GLY 58 1.650 6.610 -10.047 427 HA2 GLY 58 1HA GLY 58 1.657 5.734 -12.267 428 HA3 GLY 58 2HA GLY 58 3.304 6.316 -12.458 429 H ASP 59 H ASP 59 2.227 4.568 -9.626 430 HA ASP 59 HA ASP 59 3.898 2.294 -10.477 431 HB2 ASP 59 1HB ASP 59 3.589 3.675 -7.848 432 HB3 ASP 59 2HB ASP 59 3.922 1.945 -7.850 433 H GLN 60 H GLN 60 3.291 0.248 -9.146 434 HA GLN 60 HA GLN 60 0.355 0.006 -9.115 435 HB2 GLN 60 1HB GLN 60 1.603 -1.130 -11.039 436 HB3 GLN 60 2HB GLN 60 2.230 -2.240 -9.829 437 HG2 GLN 60 1HG GLN 60 -0.704 -1.818 -9.949 438 HG3 GLN 60 2HG GLN 60 0.057 -2.772 -11.221 439 HE21 GLN 60 1HE2 GLN 60 -0.829 -2.624 -7.892 440 HE22 GLN 60 2HE2 GLN 60 -0.427 -4.255 -7.490 441 H ILE 61 H ILE 61 -0.389 -0.380 -7.147 442 HA ILE 61 HA ILE 61 1.365 -1.435 -5.090 443 HB ILE 61 HB ILE 61 -1.539 -0.666 -4.811 444 HG12 ILE 61 1HG1 ILE 61 0.751 1.122 -4.058 445 HG13 ILE 61 2HG1 ILE 61 0.144 1.118 -5.710 446 HG21 ILE 61 1HG2 ILE 61 0.696 -1.181 -2.876 447 HG22 ILE 61 2HG2 ILE 61 -0.722 -0.234 -2.427 448 HG23 ILE 61 3HG2 ILE 61 -0.908 -1.913 -2.934 449 HD11 ILE 61 1HD1 ILE 61 -0.794 2.879 -4.180 450 HD12 ILE 61 2HD1 ILE 61 -1.977 1.885 -5.031 451 HD13 ILE 61 3HD1 ILE 61 -1.626 1.576 -3.331 452 H ILE 62 H ILE 62 1.513 -3.523 -4.644 453 HA ILE 62 HA ILE 62 -0.589 -5.337 -5.576 454 HB ILE 62 HB ILE 62 1.271 -7.038 -4.700 455 HG12 ILE 62 1HG1 ILE 62 2.643 -4.983 -3.959 456 HG13 ILE 62 2HG1 ILE 62 3.477 -6.250 -4.852 457 HG21 ILE 62 1HG2 ILE 62 0.896 -5.630 -7.286 458 HG22 ILE 62 2HG2 ILE 62 2.311 -6.666 -7.107 459 HG23 ILE 62 3HG2 ILE 62 0.694 -7.335 -6.884 460 HD11 ILE 62 1HD1 ILE 62 3.571 -3.589 -5.418 461 HD12 ILE 62 2HD1 ILE 62 3.958 -4.887 -6.548 462 HD13 ILE 62 3HD1 ILE 62 2.349 -4.165 -6.551 463 H GLU 63 H GLU 63 0.971 -4.182 -2.674 464 HA GLU 63 HA GLU 63 -0.962 -5.733 -1.087 465 HB2 GLU 63 1HB GLU 63 1.399 -6.638 -0.963 466 HB3 GLU 63 2HB GLU 63 1.854 -5.129 -0.185 467 HG2 GLU 63 1HG GLU 63 0.259 -5.584 1.616 468 HG3 GLU 63 2HG GLU 63 -0.164 -7.111 0.843 469 H ILE 64 H ILE 64 -1.755 -4.730 0.780 470 HA ILE 64 HA ILE 64 -0.967 -1.947 1.244 471 HB ILE 64 HB ILE 64 -3.818 -2.846 0.811 472 HG12 ILE 64 1HG1 ILE 64 -2.053 -0.922 -0.719 473 HG13 ILE 64 2HG1 ILE 64 -2.594 -2.502 -1.275 474 HG21 ILE 64 1HG2 ILE 64 -2.956 -0.029 1.356 475 HG22 ILE 64 2HG2 ILE 64 -4.562 -0.746 1.484 476 HG23 ILE 64 3HG2 ILE 64 -3.323 -1.141 2.676 477 HD11 ILE 64 1HD1 ILE 64 -3.876 0.029 -1.518 478 HD12 ILE 64 2HD1 ILE 64 -4.352 -1.531 -2.189 479 HD13 ILE 64 3HD1 ILE 64 -4.902 -1.057 -0.582 480 H ASN 65 H ASN 65 -0.302 -1.992 3.292 481 HA ASN 65 HA ASN 65 -0.230 -2.358 5.537 482 HB2 ASN 65 1HB ASN 65 -3.126 -2.053 4.925 483 HB3 ASN 65 2HB ASN 65 -2.699 -2.660 6.522 484 HD21 ASN 65 1HD2 ASN 65 -3.940 -0.144 5.767 485 HD22 ASN 65 2HD2 ASN 65 -2.913 1.103 6.379 486 H GLY 66 H GLY 66 0.282 -4.614 4.032 487 HA2 GLY 66 1HA GLY 66 0.522 -6.883 4.292 488 HA3 GLY 66 2HA GLY 66 -0.078 -6.669 5.930 489 H GLU 67 H GLU 67 -1.751 -5.973 2.889 490 HA GLU 67 HA GLU 67 -3.550 -8.234 3.387 491 HB2 GLU 67 1HB GLU 67 -4.435 -5.383 2.913 492 HB3 GLU 67 2HB GLU 67 -5.506 -6.777 2.896 493 HG2 GLU 67 1HG GLU 67 -3.818 -6.246 5.295 494 HG3 GLU 67 2HG GLU 67 -5.290 -5.313 5.031 495 H SER 68 H SER 68 -3.969 -9.359 1.600 496 HA SER 68 HA SER 68 -2.738 -8.846 -0.842 497 HB2 SER 68 1HB SER 68 -4.927 -10.680 0.045 498 HB3 SER 68 2HB SER 68 -4.619 -10.503 -1.682 499 HG SER 68 HG SER 68 -3.198 -12.018 -1.226 500 H THR 69 H THR 69 -3.186 -7.527 -2.474 501 HA THR 69 HA THR 69 -5.816 -6.211 -2.523 502 HB THR 69 HB THR 69 -4.830 -4.362 -3.626 503 HG1 THR 69 1HG THR 69 -2.459 -4.575 -4.152 504 HG21 THR 69 1HG2 THR 69 -3.573 -5.408 -1.220 505 HG22 THR 69 2HG2 THR 69 -4.105 -3.769 -1.594 506 HG23 THR 69 3HG2 THR 69 -2.513 -4.320 -2.114 507 H ARG 70 H ARG 70 -5.840 -8.727 -3.553 508 HA ARG 70 HA ARG 70 -5.676 -8.388 -6.467 509 HB2 ARG 70 1HB ARG 70 -4.455 -10.307 -5.711 510 HB3 ARG 70 2HB ARG 70 -5.813 -10.857 -4.738 511 HG2 ARG 70 1HG ARG 70 -6.008 -12.246 -6.533 512 HG3 ARG 70 2HG ARG 70 -7.037 -10.913 -7.061 513 HD2 ARG 70 1HD ARG 70 -5.068 -9.964 -8.261 514 HD3 ARG 70 2HD ARG 70 -4.172 -11.425 -7.845 515 HE ARG 70 HE ARG 70 -6.249 -11.159 -9.839 516 HH11 ARG 70 2HH1 ARG 70 -4.378 -13.324 -7.856 517 HH12 ARG 70 1HH1 ARG 70 -4.640 -14.697 -8.879 518 HH21 ARG 70 2HH2 ARG 70 -6.602 -12.960 -11.194 519 HH22 ARG 70 1HH2 ARG 70 -5.905 -14.489 -10.778 520 H ASP 71 H ASP 71 -7.848 -9.291 -3.845 521 HA ASP 71 HA ASP 71 -10.102 -9.068 -5.731 522 HB2 ASP 71 1HB ASP 71 -10.283 -10.674 -3.202 523 HB3 ASP 71 2HB ASP 71 -11.247 -10.804 -4.670 524 H MET 72 H MET 72 -9.142 -6.799 -4.564 525 HA MET 72 HA MET 72 -11.179 -6.210 -2.517 526 HB2 MET 72 1HB MET 72 -8.544 -4.767 -2.754 527 HB3 MET 72 2HB MET 72 -9.693 -4.714 -1.424 528 HG2 MET 72 1HG MET 72 -9.168 -7.287 -1.307 529 HG3 MET 72 2HG MET 72 -7.686 -6.788 -2.120 530 HE1 MET 72 1HE MET 72 -7.551 -3.595 -0.178 531 HE2 MET 72 2HE MET 72 -6.012 -4.375 0.185 532 HE3 MET 72 3HE MET 72 -6.702 -4.497 -1.434 533 H THR 73 H THR 73 -12.113 -4.109 -2.567 534 HA THR 73 HA THR 73 -12.152 -2.965 -5.264 535 HB THR 73 HB THR 73 -14.204 -1.751 -4.422 536 HG1 THR 73 1HG THR 73 -13.408 -2.462 -2.107 537 HG21 THR 73 1HG2 THR 73 -14.175 -4.769 -4.417 538 HG22 THR 73 2HG2 THR 73 -14.466 -3.708 -5.795 539 HG23 THR 73 3HG2 THR 73 -15.640 -3.790 -4.482 540 H HIS 74 H HIS 74 -11.780 -0.806 -5.671 541 HA HIS 74 HA HIS 74 -9.818 0.580 -4.526 542 HB2 HIS 74 1HB HIS 74 -11.330 1.243 -6.510 543 HB3 HIS 74 2HB HIS 74 -12.303 2.087 -5.309 544 HD1 HIS 74 1HD HIS 74 -11.369 4.048 -7.116 545 HD2 HIS 74 2HD HIS 74 -8.782 2.587 -4.212 546 HE1 HIS 74 1HE HIS 74 -9.558 5.779 -6.897 547 HE2 HIS 74 2HE HIS 74 -7.960 4.833 -5.196 548 H ALA 75 H ALA 75 -13.103 0.425 -3.286 549 HA ALA 75 HA ALA 75 -12.867 2.420 -1.310 550 HB1 ALA 75 1HB ALA 75 -14.957 1.816 -0.666 551 HB2 ALA 75 2HB ALA 75 -14.931 1.012 -2.236 552 HB3 ALA 75 3HB ALA 75 -14.611 0.089 -0.767 553 H ARG 76 H ARG 76 -12.556 -1.124 -1.063 554 HA ARG 76 HA ARG 76 -11.984 -1.373 1.606 555 HB2 ARG 76 1HB ARG 76 -12.238 -3.340 0.286 556 HB3 ARG 76 2HB ARG 76 -10.894 -2.896 -0.757 557 HG2 ARG 76 1HG ARG 76 -10.387 -4.719 0.851 558 HG3 ARG 76 2HG ARG 76 -9.312 -3.324 0.977 559 HD2 ARG 76 1HD ARG 76 -10.135 -2.700 3.013 560 HD3 ARG 76 2HD ARG 76 -11.735 -3.368 2.692 561 HE ARG 76 HE ARG 76 -9.860 -5.460 2.887 562 HH11 ARG 76 2HH1 ARG 76 -11.495 -3.100 4.857 563 HH12 ARG 76 1HH1 ARG 76 -11.438 -4.068 6.293 564 HH21 ARG 76 2HH2 ARG 76 -9.779 -6.743 4.771 565 HH22 ARG 76 1HH2 ARG 76 -10.461 -6.140 6.243 566 H ALA 77 H ALA 77 -9.664 -0.727 -1.011 567 HA ALA 77 HA ALA 77 -7.340 -0.660 0.520 568 HB1 ALA 77 1HB ALA 77 -6.289 0.232 -1.326 569 HB2 ALA 77 2HB ALA 77 -7.705 -0.523 -2.058 570 HB3 ALA 77 3HB ALA 77 -7.681 1.218 -1.776 571 H ILE 78 H ILE 78 -9.521 2.012 -0.358 572 HA ILE 78 HA ILE 78 -8.110 4.044 0.966 573 HB ILE 78 HB ILE 78 -11.091 3.915 0.500 574 HG12 ILE 78 1HG1 ILE 78 -9.386 3.616 -1.486 575 HG13 ILE 78 2HG1 ILE 78 -10.780 4.676 -1.660 576 HG21 ILE 78 1HG2 ILE 78 -10.893 6.394 0.473 577 HG22 ILE 78 2HG2 ILE 78 -10.530 5.667 2.037 578 HG23 ILE 78 3HG2 ILE 78 -9.218 6.223 0.998 579 HD11 ILE 78 1HD1 ILE 78 -9.446 6.610 -1.319 580 HD12 ILE 78 2HD1 ILE 78 -8.052 5.637 -0.848 581 HD13 ILE 78 3HD1 ILE 78 -8.631 5.602 -2.514 582 H GLU 79 H GLU 79 -9.835 1.429 2.223 583 HA GLU 79 HA GLU 79 -10.514 2.766 4.722 584 HB2 GLU 79 1HB GLU 79 -12.229 1.316 4.292 585 HB3 GLU 79 2HB GLU 79 -11.194 0.173 3.448 586 HG2 GLU 79 1HG GLU 79 -11.697 -1.020 5.322 587 HG3 GLU 79 2HG GLU 79 -10.206 -0.232 5.836 588 H LEU 80 H LEU 80 -8.357 0.246 3.504 589 HA LEU 80 HA LEU 80 -7.265 -0.515 5.986 590 HB2 LEU 80 1HB LEU 80 -5.995 -0.599 3.253 591 HB3 LEU 80 2HB LEU 80 -5.439 -1.479 4.675 592 HG LEU 80 HG LEU 80 -8.083 -1.912 3.287 593 HD11 LEU 80 1HD1 LEU 80 -5.986 -2.577 2.025 594 HD12 LEU 80 2HD1 LEU 80 -7.170 -3.851 2.318 595 HD13 LEU 80 3HD1 LEU 80 -5.712 -3.757 3.306 596 HD21 LEU 80 1HD2 LEU 80 -8.665 -3.269 4.959 597 HD22 LEU 80 2HD2 LEU 80 -7.388 -2.484 5.889 598 HD23 LEU 80 3HD2 LEU 80 -7.060 -3.996 5.040 599 H ILE 81 H ILE 81 -6.320 1.948 3.636 600 HA ILE 81 HA ILE 81 -3.872 2.704 4.696 601 HB ILE 81 HB ILE 81 -5.921 4.557 3.477 602 HG12 ILE 81 1HG1 ILE 81 -3.669 3.174 2.030 603 HG13 ILE 81 2HG1 ILE 81 -5.266 2.447 2.165 604 HG21 ILE 81 1HG2 ILE 81 -4.119 6.015 2.971 605 HG22 ILE 81 2HG2 ILE 81 -3.962 5.586 4.674 606 HG23 ILE 81 3HG2 ILE 81 -2.924 4.819 3.472 607 HD11 ILE 81 1HD1 ILE 81 -5.242 5.218 1.205 608 HD12 ILE 81 2HD1 ILE 81 -4.477 4.039 0.138 609 HD13 ILE 81 3HD1 ILE 81 -6.155 3.820 0.636 610 H LYS 82 H LYS 82 -7.123 3.546 5.725 611 HA LYS 82 HA LYS 82 -6.055 5.297 7.815 612 HB2 LYS 82 1HB LYS 82 -8.668 5.526 8.203 613 HB3 LYS 82 2HB LYS 82 -7.841 6.431 6.942 614 HG2 LYS 82 1HG LYS 82 -8.505 4.740 5.301 615 HG3 LYS 82 2HG LYS 82 -9.350 3.850 6.569 616 HD2 LYS 82 1HD LYS 82 -10.995 5.123 5.432 617 HD3 LYS 82 2HD LYS 82 -10.704 5.944 6.967 618 HE2 LYS 82 1HE LYS 82 -9.082 6.782 4.627 619 HE3 LYS 82 2HE LYS 82 -10.785 7.240 4.643 620 HZ1 LYS 82 1HZ LYS 82 -10.169 7.982 7.067 621 HZ2 LYS 82 2HZ LYS 82 -9.879 8.995 5.744 622 HZ3 LYS 82 3HZ LYS 82 -8.613 8.094 6.411 623 H SER 83 H SER 83 -7.111 2.114 7.345 624 HA SER 83 HA SER 83 -8.195 1.632 9.945 625 HB2 SER 83 1HB SER 83 -8.666 0.252 7.877 626 HB3 SER 83 2HB SER 83 -7.047 -0.425 8.050 627 HG SER 83 HG SER 83 -9.192 -1.305 9.189 628 H GLY 84 H GLY 84 -5.011 1.432 8.491 629 HA2 GLY 84 1HA GLY 84 -3.775 -0.034 10.592 630 HA3 GLY 84 2HA GLY 84 -2.948 0.920 9.370 631 H GLY 85 H GLY 85 -4.235 3.412 9.990 632 HA2 GLY 85 1HA GLY 85 -4.477 4.653 12.186 633 HA3 GLY 85 2HA GLY 85 -2.907 3.963 12.569 634 H ARG 86 H ARG 86 -1.500 5.594 12.570 635 HA ARG 86 HA ARG 86 -1.737 7.730 10.604 636 HB2 ARG 86 1HB ARG 86 -0.343 7.365 13.194 637 HB3 ARG 86 2HB ARG 86 0.455 8.402 12.019 638 HG2 ARG 86 1HG ARG 86 -1.259 9.959 12.034 639 HG3 ARG 86 2HG ARG 86 -2.430 8.809 12.682 640 HD2 ARG 86 1HD ARG 86 -1.259 8.816 14.824 641 HD3 ARG 86 2HD ARG 86 -0.069 9.944 14.176 642 HE ARG 86 HE ARG 86 -2.817 10.843 14.064 643 HH11 ARG 86 2HH1 ARG 86 0.169 10.800 15.855 644 HH12 ARG 86 1HH1 ARG 86 -0.210 12.220 16.772 645 HH21 ARG 86 2HH2 ARG 86 -3.327 12.713 15.266 646 HH22 ARG 86 1HH2 ARG 86 -2.198 13.307 16.438 647 H ARG 87 H ARG 87 -0.019 4.824 11.066 648 HA ARG 87 HA ARG 87 1.929 5.603 8.996 649 HB2 ARG 87 1HB ARG 87 2.248 3.416 11.058 650 HB3 ARG 87 2HB ARG 87 3.459 3.963 9.907 651 HG2 ARG 87 1HG ARG 87 3.797 5.978 11.040 652 HG3 ARG 87 2HG ARG 87 2.294 5.818 11.950 653 HD2 ARG 87 1HD ARG 87 4.365 3.712 12.281 654 HD3 ARG 87 2HD ARG 87 4.652 5.282 13.030 655 HE ARG 87 HE ARG 87 2.156 4.701 13.843 656 HH11 ARG 87 2HH1 ARG 87 5.121 2.877 13.873 657 HH12 ARG 87 1HH1 ARG 87 4.704 1.974 15.291 658 HH21 ARG 87 2HH2 ARG 87 1.595 3.519 15.711 659 HH22 ARG 87 1HH2 ARG 87 2.698 2.339 16.336 660 H VAL 88 H VAL 88 1.742 4.616 7.099 661 HA VAL 88 HA VAL 88 0.278 2.059 6.987 662 HB VAL 88 HB VAL 88 -0.974 3.951 5.971 663 HG11 VAL 88 1HG1 VAL 88 1.136 3.977 3.830 664 HG12 VAL 88 2HG1 VAL 88 -0.213 5.092 4.055 665 HG13 VAL 88 3HG1 VAL 88 1.145 5.109 5.182 666 HG21 VAL 88 1HG2 VAL 88 -0.043 1.878 3.987 667 HG22 VAL 88 2HG2 VAL 88 -1.291 1.633 5.209 668 HG23 VAL 88 3HG2 VAL 88 -1.545 2.799 3.911 669 H ARG 89 H ARG 89 1.056 0.453 5.643 670 HA ARG 89 HA ARG 89 3.580 0.977 4.239 671 HB2 ARG 89 1HB ARG 89 4.308 0.006 6.286 672 HB3 ARG 89 2HB ARG 89 3.041 -1.212 6.239 673 HG2 ARG 89 1HG ARG 89 4.123 -2.178 4.222 674 HG3 ARG 89 2HG ARG 89 5.444 -1.028 4.438 675 HD2 ARG 89 1HD ARG 89 5.589 -1.989 6.828 676 HD3 ARG 89 2HD ARG 89 4.636 -3.326 6.184 677 HE ARG 89 HE ARG 89 6.657 -3.155 4.419 678 HH11 ARG 89 2HH1 ARG 89 6.582 -3.280 7.898 679 HH12 ARG 89 1HH1 ARG 89 8.113 -4.080 8.032 680 HH21 ARG 89 2HH2 ARG 89 8.674 -4.208 4.583 681 HH22 ARG 89 1HH2 ARG 89 9.302 -4.606 6.146 682 H LEU 90 H LEU 90 3.170 0.562 2.172 683 HA LEU 90 HA LEU 90 1.626 -1.859 1.514 684 HB2 LEU 90 1HB LEU 90 1.226 -0.375 -0.674 685 HB3 LEU 90 2HB LEU 90 0.138 -0.373 0.712 686 HG LEU 90 HG LEU 90 2.334 1.620 0.711 687 HD11 LEU 90 1HD1 LEU 90 -0.008 2.607 -0.686 688 HD12 LEU 90 2HD1 LEU 90 0.831 1.347 -1.589 689 HD13 LEU 90 3HD1 LEU 90 1.704 2.790 -1.073 690 HD21 LEU 90 1HD2 LEU 90 -0.162 1.136 2.039 691 HD22 LEU 90 2HD2 LEU 90 -0.181 2.728 1.281 692 HD23 LEU 90 3HD2 LEU 90 1.099 2.309 2.422 693 H LEU 91 H LEU 91 2.285 -3.040 -0.301 694 HA LEU 91 HA LEU 91 5.102 -2.753 -0.931 695 HB2 LEU 91 1HB LEU 91 3.827 -4.935 -0.400 696 HB3 LEU 91 2HB LEU 91 3.277 -4.838 -2.072 697 HG LEU 91 HG LEU 91 6.155 -5.019 -1.180 698 HD11 LEU 91 1HD1 LEU 91 5.232 -7.124 -0.763 699 HD12 LEU 91 2HD1 LEU 91 5.938 -7.269 -2.373 700 HD13 LEU 91 3HD1 LEU 91 4.197 -7.054 -2.190 701 HD21 LEU 91 1HD2 LEU 91 5.861 -3.771 -3.267 702 HD22 LEU 91 2HD2 LEU 91 4.937 -5.115 -3.939 703 HD23 LEU 91 3HD2 LEU 91 6.644 -5.327 -3.544 704 H LEU 92 H LEU 92 5.760 -1.566 -2.585 705 HA LEU 92 HA LEU 92 4.082 -1.464 -5.003 706 HB2 LEU 92 1HB LEU 92 4.187 0.644 -3.518 707 HB3 LEU 92 2HB LEU 92 5.825 0.818 -4.144 708 HG LEU 92 HG LEU 92 4.657 0.690 -6.471 709 HD11 LEU 92 1HD1 LEU 92 2.438 0.804 -6.578 710 HD12 LEU 92 2HD1 LEU 92 2.368 2.084 -5.367 711 HD13 LEU 92 3HD1 LEU 92 2.427 0.395 -4.863 712 HD21 LEU 92 1HD2 LEU 92 5.538 2.734 -6.329 713 HD22 LEU 92 2HD2 LEU 92 5.168 2.866 -4.610 714 HD23 LEU 92 3HD2 LEU 92 3.939 3.266 -5.811 715 H LYS 93 H LYS 93 5.192 -1.253 -6.996 716 HA LYS 93 HA LYS 93 8.086 -1.756 -6.895 717 HB2 LYS 93 1HB LYS 93 7.809 -3.393 -8.755 718 HB3 LYS 93 2HB LYS 93 7.086 -3.917 -7.239 719 HG2 LYS 93 1HG LYS 93 4.897 -3.450 -8.020 720 HG3 LYS 93 2HG LYS 93 5.516 -2.605 -9.441 721 HD2 LYS 93 1HD LYS 93 6.663 -4.903 -9.940 722 HD3 LYS 93 2HD LYS 93 5.414 -5.535 -8.864 723 HE2 LYS 93 1HE LYS 93 4.575 -5.682 -11.086 724 HE3 LYS 93 2HE LYS 93 3.722 -4.360 -10.292 725 HZ1 LYS 93 1HZ LYS 93 4.291 -3.219 -12.112 726 HZ2 LYS 93 2HZ LYS 93 5.517 -4.299 -12.550 727 HZ3 LYS 93 3HZ LYS 93 5.821 -3.097 -11.399 728 H ARG 94 H ARG 94 9.232 -0.513 -8.236 729 HA ARG 94 HA ARG 94 7.765 1.035 -10.262 730 HB2 ARG 94 1HB ARG 94 8.754 2.521 -8.707 731 HB3 ARG 94 2HB ARG 94 10.265 1.622 -8.691 732 HG2 ARG 94 1HG ARG 94 10.564 3.669 -9.909 733 HG3 ARG 94 2HG ARG 94 10.661 2.307 -11.028 734 HD2 ARG 94 1HD ARG 94 9.282 3.692 -12.212 735 HD3 ARG 94 2HD ARG 94 8.083 2.785 -11.292 736 HE ARG 94 HE ARG 94 8.652 4.940 -9.722 737 HH11 ARG 94 2HH1 ARG 94 7.583 4.509 -13.007 738 HH12 ARG 94 1HH1 ARG 94 6.694 5.996 -13.051 739 HH21 ARG 94 2HH2 ARG 94 7.486 6.900 -9.767 740 HH22 ARG 94 1HH2 ARG 94 6.641 7.356 -11.208 741 H GLY 95 H GLY 95 8.638 1.301 -12.343 742 HA2 GLY 95 1HA GLY 95 10.052 -0.996 -13.321 743 HA3 GLY 95 2HA GLY 95 9.508 0.377 -14.273 744 H THR 96 H THR 96 10.834 2.457 -13.040 745 HA THR 96 HA THR 96 12.803 3.579 -13.445 746 HB THR 96 HB THR 96 13.018 2.617 -11.128 747 HG1 THR 96 1HG THR 96 15.129 3.296 -10.991 748 HG21 THR 96 1HG2 THR 96 14.680 0.807 -10.829 749 HG22 THR 96 2HG2 THR 96 14.719 0.586 -12.578 750 HG23 THR 96 3HG2 THR 96 13.234 0.268 -11.682 751 H GLY 97 H GLY 97 12.138 1.419 -15.411 752 HA2 GLY 97 1HA GLY 97 14.418 -0.004 -16.190 753 HA3 GLY 97 2HA GLY 97 13.105 0.465 -17.260 754 H SER 98 H SER 98 16.283 1.243 -16.098 755 HA SER 98 HA SER 98 16.841 3.734 -16.930 756 HB2 SER 98 1HB SER 98 18.456 1.909 -16.095 757 HB3 SER 98 2HB SER 98 18.648 1.482 -17.795 758 HG SER 98 HG SER 98 19.029 3.939 -17.935 759 H GLY 99 H GLY 99 17.578 4.738 -18.871 760 HA2 GLY 99 1HA GLY 99 17.301 3.396 -21.400 761 HA3 GLY 99 2HA GLY 99 15.983 4.511 -21.071 762 HA PRO 100 HA PRO 100 20.038 6.614 -22.605 763 HB2 PRO 100 1HB PRO 100 19.712 6.495 -25.298 764 HB3 PRO 100 2HB PRO 100 20.601 5.272 -24.383 765 HG2 PRO 100 1HG PRO 100 17.785 5.205 -25.394 766 HG3 PRO 100 2HG PRO 100 19.014 3.927 -25.421 767 HD2 PRO 100 1HD PRO 100 17.032 4.003 -23.578 768 HD3 PRO 100 2HD PRO 100 18.644 3.350 -23.221 769 H SER 101 H SER 101 16.778 6.917 -22.607 770 HA SER 101 HA SER 101 16.563 9.305 -24.231 771 HB2 SER 101 1HB SER 101 14.217 9.301 -23.593 772 HB3 SER 101 2HB SER 101 14.694 7.670 -24.068 773 HG SER 101 HG SER 101 13.837 8.612 -21.643 774 H SER 102 H SER 102 18.437 9.393 -22.044 775 HA SER 102 HA SER 102 17.577 10.605 -19.728 776 HB2 SER 102 1HB SER 102 19.912 9.941 -20.125 777 HB3 SER 102 2HB SER 102 20.091 11.254 -21.288 778 HG SER 102 HG SER 102 20.844 12.092 -19.429 779 H GLY 103 H GLY 103 18.400 12.179 -22.810 780 HA2 GLY 103 1HA GLY 103 17.308 14.701 -21.777 781 HA3 GLY 103 2HA GLY 103 18.295 14.523 -23.220 Start of MODEL 17 1 H1 GLY 1 H GLY 1 14.368 -20.817 -13.418 2 HA2 GLY 1 1HA GLY 1 13.804 -23.598 -14.213 3 HA3 GLY 1 2HA GLY 1 12.935 -22.875 -12.867 4 H SER 2 H SER 2 11.135 -23.588 -14.376 5 HA SER 2 HA SER 2 10.526 -21.391 -16.244 6 HB2 SER 2 1HB SER 2 9.802 -24.320 -16.467 7 HB3 SER 2 2HB SER 2 9.133 -23.059 -17.502 8 HG SER 2 HG SER 2 11.910 -23.218 -17.258 9 H SER 3 H SER 3 9.078 -20.115 -15.300 10 HA SER 3 HA SER 3 6.868 -21.371 -13.807 11 HB2 SER 3 1HB SER 3 6.717 -19.320 -12.483 12 HB3 SER 3 2HB SER 3 8.348 -19.985 -12.390 13 HG SER 3 HG SER 3 9.103 -18.295 -13.413 14 H GLY 4 H GLY 4 6.701 -21.162 -16.563 15 HA2 GLY 4 1HA GLY 4 5.135 -20.533 -18.129 16 HA3 GLY 4 2HA GLY 4 4.278 -19.690 -16.847 17 H SER 5 H SER 5 4.306 -18.575 -19.308 18 HA SER 5 HA SER 5 6.251 -16.961 -20.220 19 HB2 SER 5 1HB SER 5 3.308 -16.442 -19.905 20 HB3 SER 5 2HB SER 5 4.360 -15.213 -20.607 21 HG SER 5 HG SER 5 3.297 -16.872 -22.041 22 H SER 6 H SER 6 7.495 -15.364 -19.494 23 HA SER 6 HA SER 6 7.870 -14.611 -16.946 24 HB2 SER 6 1HB SER 6 9.345 -13.850 -18.719 25 HB3 SER 6 2HB SER 6 8.082 -12.801 -19.364 26 HG SER 6 HG SER 6 8.724 -11.347 -18.008 27 H GLY 7 H GLY 7 7.098 -13.133 -15.475 28 HA2 GLY 7 1HA GLY 7 4.416 -12.087 -16.070 29 HA3 GLY 7 2HA GLY 7 5.068 -12.378 -14.464 30 H GLN 8 H GLN 8 3.922 -9.969 -16.026 31 HA GLN 8 HA GLN 8 6.049 -8.066 -16.111 32 HB2 GLN 8 1HB GLN 8 4.247 -6.406 -16.415 33 HB3 GLN 8 2HB GLN 8 4.093 -7.770 -17.514 34 HG2 GLN 8 1HG GLN 8 2.489 -8.726 -15.734 35 HG3 GLN 8 2HG GLN 8 2.429 -7.070 -15.135 36 HE21 GLN 8 1HE2 GLN 8 0.980 -5.767 -16.004 37 HE22 GLN 8 2HE2 GLN 8 0.152 -6.025 -17.498 38 H ASP 9 H ASP 9 7.087 -7.879 -14.174 39 HA ASP 9 HA ASP 9 5.648 -6.462 -12.085 40 HB2 ASP 9 1HB ASP 9 6.838 -8.070 -10.390 41 HB3 ASP 9 2HB ASP 9 5.298 -8.532 -11.109 42 H PHE 10 H PHE 10 6.884 -4.956 -11.123 43 HA PHE 10 HA PHE 10 9.689 -4.808 -11.942 44 HB2 PHE 10 1HB PHE 10 8.360 -2.609 -10.425 45 HB3 PHE 10 2HB PHE 10 9.557 -2.518 -11.713 46 HD1 PHE 10 2HD PHE 10 7.985 -4.435 -13.580 47 HD2 PHE 10 1HD PHE 10 6.914 -0.954 -11.377 48 HE1 PHE 10 2HE PHE 10 6.199 -3.960 -15.204 49 HE2 PHE 10 1HE PHE 10 5.126 -0.474 -12.998 50 HZ PHE 10 HZ PHE 10 4.767 -1.977 -14.915 51 H ASP 11 H ASP 11 11.013 -3.506 -10.138 52 HA ASP 11 HA ASP 11 11.755 -5.237 -8.183 53 HB2 ASP 11 1HB ASP 11 11.859 -2.240 -8.308 54 HB3 ASP 11 2HB ASP 11 12.443 -3.087 -6.878 55 H TYR 12 H TYR 12 10.468 -6.252 -6.786 56 HA TYR 12 HA TYR 12 8.108 -5.052 -5.695 57 HB2 TYR 12 1HB TYR 12 9.506 -7.681 -5.335 58 HB3 TYR 12 2HB TYR 12 8.219 -7.212 -4.230 59 HD1 TYR 12 1HD TYR 12 6.274 -5.914 -5.941 60 HD2 TYR 12 2HD TYR 12 8.671 -9.343 -6.713 61 HE1 TYR 12 1HE TYR 12 4.597 -6.717 -7.551 62 HE2 TYR 12 2HE TYR 12 7.001 -10.155 -8.325 63 HH TYR 12 HH TYR 12 4.202 -8.206 -9.210 64 H PHE 13 H PHE 13 9.019 -3.184 -4.670 65 HA PHE 13 HA PHE 13 10.500 -3.750 -2.193 66 HB2 PHE 13 1HB PHE 13 11.270 -1.473 -2.239 67 HB3 PHE 13 2HB PHE 13 11.531 -2.163 -3.837 68 HD1 PHE 13 2HD PHE 13 9.156 -0.072 -1.895 69 HD2 PHE 13 1HD PHE 13 10.704 -1.097 -5.725 70 HE1 PHE 13 2HE PHE 13 7.896 1.788 -2.898 71 HE2 PHE 13 1HE PHE 13 9.447 0.761 -6.734 72 HZ PHE 13 HZ PHE 13 8.040 2.206 -5.321 73 H THR 14 H THR 14 9.848 -2.789 -0.235 74 HA THR 14 HA THR 14 6.973 -2.356 -0.068 75 HB THR 14 HB THR 14 7.766 -2.182 2.500 76 HG1 THR 14 1HG THR 14 9.482 -3.757 2.734 77 HG21 THR 14 1HG2 THR 14 6.469 -4.038 0.907 78 HG22 THR 14 2HG2 THR 14 6.596 -4.082 2.666 79 HG23 THR 14 3HG2 THR 14 7.753 -4.970 1.675 80 H VAL 15 H VAL 15 6.184 -0.642 1.453 81 HA VAL 15 HA VAL 15 7.881 1.754 1.445 82 HB VAL 15 HB VAL 15 4.976 1.780 0.620 83 HG11 VAL 15 1HG1 VAL 15 5.181 4.073 0.306 84 HG12 VAL 15 2HG1 VAL 15 6.080 3.795 1.798 85 HG13 VAL 15 3HG1 VAL 15 6.943 4.011 0.274 86 HG21 VAL 15 1HG2 VAL 15 6.192 2.603 -1.581 87 HG22 VAL 15 2HG2 VAL 15 7.490 1.587 -0.953 88 HG23 VAL 15 3HG2 VAL 15 5.901 0.892 -1.270 89 H ASP 16 H ASP 16 7.701 3.026 3.223 90 HA ASP 16 HA ASP 16 5.529 2.480 5.118 91 HB2 ASP 16 1HB ASP 16 7.487 1.165 5.836 92 HB3 ASP 16 2HB ASP 16 8.457 2.635 5.865 93 H MET 17 H MET 17 4.543 4.307 5.644 94 HA MET 17 HA MET 17 6.090 6.728 6.095 95 HB2 MET 17 1HB MET 17 3.676 7.079 4.392 96 HB3 MET 17 2HB MET 17 5.149 8.037 4.463 97 HG2 MET 17 1HG MET 17 6.350 6.316 3.240 98 HG3 MET 17 2HG MET 17 4.899 5.318 3.201 99 HE1 MET 17 1HE MET 17 2.738 8.189 2.407 100 HE2 MET 17 2HE MET 17 2.477 7.175 0.987 101 HE3 MET 17 3HE MET 17 2.665 6.435 2.578 102 H GLU 18 H GLU 18 4.645 8.512 6.949 103 HA GLU 18 HA GLU 18 2.632 7.309 8.724 104 HB2 GLU 18 1HB GLU 18 4.608 9.503 9.044 105 HB3 GLU 18 2HB GLU 18 3.064 9.698 9.863 106 HG2 GLU 18 1HG GLU 18 3.434 7.942 11.283 107 HG3 GLU 18 2HG GLU 18 4.533 7.130 10.169 108 H LYS 19 H LYS 19 0.950 9.019 9.463 109 HA LYS 19 HA LYS 19 -0.379 9.940 7.060 110 HB2 LYS 19 1HB LYS 19 -1.499 8.744 9.026 111 HB3 LYS 19 2HB LYS 19 -1.365 10.270 9.889 112 HG2 LYS 19 1HG LYS 19 -2.850 11.351 8.450 113 HG3 LYS 19 2HG LYS 19 -2.693 10.107 7.208 114 HD2 LYS 19 1HD LYS 19 -3.879 9.574 9.924 115 HD3 LYS 19 2HD LYS 19 -4.844 10.082 8.536 116 HE2 LYS 19 1HE LYS 19 -4.041 8.120 7.287 117 HE3 LYS 19 2HE LYS 19 -3.124 7.608 8.704 118 HZ1 LYS 19 1HZ LYS 19 -5.568 7.904 9.739 119 HZ2 LYS 19 2HZ LYS 19 -4.972 6.440 9.137 120 HZ3 LYS 19 3HZ LYS 19 -5.963 7.411 8.170 121 H GLY 20 H GLY 20 -1.414 12.114 7.024 122 HA2 GLY 20 1HA GLY 20 0.362 14.123 8.269 123 HA3 GLY 20 2HA GLY 20 -0.256 14.278 6.632 124 H ALA 21 H ALA 21 -1.757 15.796 6.514 125 HA ALA 21 HA ALA 21 -3.323 16.516 8.843 126 HB1 ALA 21 1HB ALA 21 -4.045 18.408 7.596 127 HB2 ALA 21 2HB ALA 21 -2.324 18.199 7.272 128 HB3 ALA 21 3HB ALA 21 -3.515 17.687 6.076 129 H LYS 22 H LYS 22 -4.079 15.600 5.477 130 HA LYS 22 HA LYS 22 -6.660 14.558 6.447 131 HB2 LYS 22 1HB LYS 22 -6.465 16.558 4.720 132 HB3 LYS 22 2HB LYS 22 -6.244 15.244 3.572 133 HG2 LYS 22 1HG LYS 22 -8.501 15.482 3.454 134 HG3 LYS 22 2HG LYS 22 -8.401 14.302 4.763 135 HD2 LYS 22 1HD LYS 22 -9.830 15.832 5.697 136 HD3 LYS 22 2HD LYS 22 -8.281 16.466 6.258 137 HE2 LYS 22 1HE LYS 22 -8.260 18.014 4.332 138 HE3 LYS 22 2HE LYS 22 -9.851 17.416 3.863 139 HZ1 LYS 22 1HZ LYS 22 -9.101 19.061 6.186 140 HZ2 LYS 22 2HZ LYS 22 -10.486 18.093 6.257 141 HZ3 LYS 22 3HZ LYS 22 -10.353 19.293 5.072 142 H GLY 23 H GLY 23 -3.994 13.221 6.224 143 HA2 GLY 23 1HA GLY 23 -4.327 10.703 5.862 144 HA3 GLY 23 2HA GLY 23 -4.634 11.179 4.198 145 H PHE 24 H PHE 24 -2.829 9.651 3.820 146 HA PHE 24 HA PHE 24 -0.185 10.555 4.580 147 HB2 PHE 24 1HB PHE 24 -1.112 8.248 2.859 148 HB3 PHE 24 2HB PHE 24 0.573 8.576 3.247 149 HD1 PHE 24 2HD PHE 24 -2.713 7.793 4.772 150 HD2 PHE 24 1HD PHE 24 1.519 7.782 5.224 151 HE1 PHE 24 2HE PHE 24 -2.941 6.488 6.845 152 HE2 PHE 24 1HE PHE 24 1.298 6.475 7.297 153 HZ PHE 24 HZ PHE 24 -0.934 5.827 8.111 154 H GLY 25 H GLY 25 -1.727 12.368 2.968 155 HA2 GLY 25 1HA GLY 25 -1.651 13.552 0.980 156 HA3 GLY 25 2HA GLY 25 0.078 13.445 1.275 157 H PHE 26 H PHE 26 -2.122 10.802 0.463 158 HA PHE 26 HA PHE 26 -1.154 10.692 -2.264 159 HB2 PHE 26 1HB PHE 26 0.080 8.756 -2.156 160 HB3 PHE 26 2HB PHE 26 0.447 9.431 -0.572 161 HD1 PHE 26 2HD PHE 26 -2.107 7.241 -2.186 162 HD2 PHE 26 1HD PHE 26 0.295 8.034 1.237 163 HE1 PHE 26 2HE PHE 26 -2.952 5.190 -1.122 164 HE2 PHE 26 1HE PHE 26 -0.545 5.983 2.306 165 HZ PHE 26 HZ PHE 26 -2.172 4.559 1.127 166 H SER 27 H SER 27 -2.489 9.544 -3.625 167 HA SER 27 HA SER 27 -4.899 8.387 -2.381 168 HB2 SER 27 1HB SER 27 -5.470 10.461 -3.503 169 HB3 SER 27 2HB SER 27 -4.653 9.932 -4.973 170 HG SER 27 HG SER 27 -7.163 9.552 -4.335 171 H ILE 28 H ILE 28 -6.087 6.915 -4.010 172 HA ILE 28 HA ILE 28 -4.159 5.332 -5.565 173 HB ILE 28 HB ILE 28 -5.799 3.374 -4.683 174 HG12 ILE 28 1HG1 ILE 28 -5.346 5.042 -2.217 175 HG13 ILE 28 2HG1 ILE 28 -6.838 5.160 -3.142 176 HG21 ILE 28 1HG2 ILE 28 -3.440 4.176 -3.020 177 HG22 ILE 28 2HG2 ILE 28 -3.964 2.564 -3.503 178 HG23 ILE 28 3HG2 ILE 28 -3.239 3.648 -4.690 179 HD11 ILE 28 1HD1 ILE 28 -7.109 3.659 -1.269 180 HD12 ILE 28 2HD1 ILE 28 -7.228 2.768 -2.786 181 HD13 ILE 28 3HD1 ILE 28 -5.751 2.682 -1.826 182 H ARG 29 H ARG 29 -5.335 3.690 -6.972 183 HA ARG 29 HA ARG 29 -8.027 4.444 -7.747 184 HB2 ARG 29 1HB ARG 29 -7.544 5.071 -9.970 185 HB3 ARG 29 2HB ARG 29 -6.397 5.962 -8.980 186 HG2 ARG 29 1HG ARG 29 -4.601 4.707 -9.688 187 HG3 ARG 29 2HG ARG 29 -5.609 3.330 -10.138 188 HD2 ARG 29 1HD ARG 29 -5.022 4.211 -12.196 189 HD3 ARG 29 2HD ARG 29 -6.597 4.947 -11.903 190 HE ARG 29 HE ARG 29 -4.367 6.530 -11.000 191 HH11 ARG 29 2HH1 ARG 29 -6.466 5.769 -13.672 192 HH12 ARG 29 1HH1 ARG 29 -6.204 7.280 -14.478 193 HH21 ARG 29 2HH2 ARG 29 -4.015 8.524 -12.052 194 HH22 ARG 29 1HH2 ARG 29 -4.809 8.846 -13.556 195 H GLY 30 H GLY 30 -8.774 3.033 -9.636 196 HA2 GLY 30 1HA GLY 30 -9.012 0.962 -10.626 197 HA3 GLY 30 2HA GLY 30 -7.376 0.580 -10.111 198 H GLY 31 H GLY 31 -8.753 -1.529 -9.904 199 HA2 GLY 31 1HA GLY 31 -8.715 -2.751 -7.650 200 HA3 GLY 31 2HA GLY 31 -9.992 -1.619 -7.231 201 H ARG 32 H ARG 32 -10.699 -4.115 -6.922 202 HA ARG 32 HA ARG 32 -11.566 -5.619 -9.081 203 HB2 ARG 32 1HB ARG 32 -12.433 -5.376 -6.235 204 HB3 ARG 32 2HB ARG 32 -13.443 -6.296 -7.342 205 HG2 ARG 32 1HG ARG 32 -10.505 -6.823 -7.010 206 HG3 ARG 32 2HG ARG 32 -11.740 -7.604 -6.020 207 HD2 ARG 32 1HD ARG 32 -11.948 -7.663 -9.002 208 HD3 ARG 32 2HD ARG 32 -10.867 -8.780 -8.171 209 HE ARG 32 HE ARG 32 -13.545 -8.744 -7.119 210 HH11 ARG 32 2HH1 ARG 32 -11.409 -10.131 -9.492 211 HH12 ARG 32 1HH1 ARG 32 -12.345 -11.577 -9.680 212 HH21 ARG 32 2HH2 ARG 32 -14.786 -10.642 -7.358 213 HH22 ARG 32 1HH2 ARG 32 -14.266 -11.866 -8.466 214 H GLU 33 H GLU 33 -12.854 -2.688 -7.780 215 HA GLU 33 HA GLU 33 -15.496 -2.889 -8.764 216 HB2 GLU 33 1HB GLU 33 -14.355 -1.183 -7.097 217 HB3 GLU 33 2HB GLU 33 -14.133 -0.240 -8.564 218 HG2 GLU 33 1HG GLU 33 -16.688 -0.746 -8.889 219 HG3 GLU 33 2HG GLU 33 -16.636 -0.977 -7.143 220 H TYR 34 H TYR 34 -12.487 -1.748 -10.181 221 HA TYR 34 HA TYR 34 -13.908 -1.224 -12.704 222 HB2 TYR 34 1HB TYR 34 -11.096 -0.332 -12.133 223 HB3 TYR 34 2HB TYR 34 -12.249 0.328 -13.286 224 HD1 TYR 34 1HD TYR 34 -14.106 1.759 -12.498 225 HD2 TYR 34 2HD TYR 34 -11.067 0.392 -9.853 226 HE1 TYR 34 1HE TYR 34 -14.769 3.471 -10.861 227 HE2 TYR 34 2HE TYR 34 -11.722 2.100 -8.208 228 HH TYR 34 HH TYR 34 -12.872 4.307 -8.206 229 H LYS 35 H LYS 35 -12.667 -3.763 -11.405 230 HA LYS 35 HA LYS 35 -11.538 -5.627 -12.073 231 HB2 LYS 35 1HB LYS 35 -12.322 -4.602 -14.808 232 HB3 LYS 35 2HB LYS 35 -11.806 -6.243 -14.440 233 HG2 LYS 35 1HG LYS 35 -14.054 -6.547 -14.421 234 HG3 LYS 35 2HG LYS 35 -13.816 -6.106 -12.728 235 HD2 LYS 35 1HD LYS 35 -15.553 -4.714 -13.285 236 HD3 LYS 35 2HD LYS 35 -14.177 -3.670 -13.648 237 HE2 LYS 35 1HE LYS 35 -14.419 -3.930 -15.935 238 HE3 LYS 35 2HE LYS 35 -15.303 -5.446 -15.772 239 HZ1 LYS 35 1HZ LYS 35 -16.733 -3.352 -14.527 240 HZ2 LYS 35 2HZ LYS 35 -17.208 -4.345 -15.811 241 HZ3 LYS 35 3HZ LYS 35 -16.361 -2.912 -16.118 242 H MET 36 H MET 36 -9.787 -3.680 -11.440 243 HA MET 36 HA MET 36 -7.561 -4.293 -13.192 244 HB2 MET 36 1HB MET 36 -6.880 -1.942 -13.440 245 HB3 MET 36 2HB MET 36 -8.432 -2.256 -14.206 246 HG2 MET 36 1HG MET 36 -9.426 -1.415 -11.970 247 HG3 MET 36 2HG MET 36 -7.829 -0.713 -11.725 248 HE1 MET 36 1HE MET 36 -8.189 2.072 -12.066 249 HE2 MET 36 2HE MET 36 -6.875 1.101 -12.732 250 HE3 MET 36 3HE MET 36 -7.671 2.315 -13.735 251 H ASP 37 H ASP 37 -5.478 -3.451 -12.259 252 HA ASP 37 HA ASP 37 -5.336 -4.161 -9.506 253 HB2 ASP 37 1HB ASP 37 -3.093 -2.746 -10.894 254 HB3 ASP 37 2HB ASP 37 -3.031 -4.084 -9.750 255 H LEU 38 H LEU 38 -4.024 -2.711 -7.964 256 HA LEU 38 HA LEU 38 -5.380 -0.123 -7.879 257 HB2 LEU 38 1HB LEU 38 -3.893 -1.729 -5.817 258 HB3 LEU 38 2HB LEU 38 -4.436 -0.077 -5.531 259 HG LEU 38 HG LEU 38 -6.445 -2.099 -6.393 260 HD11 LEU 38 1HD1 LEU 38 -4.899 -2.983 -4.488 261 HD12 LEU 38 2HD1 LEU 38 -6.651 -3.127 -4.347 262 HD13 LEU 38 3HD1 LEU 38 -5.801 -1.840 -3.492 263 HD21 LEU 38 1HD2 LEU 38 -6.607 0.107 -4.351 264 HD22 LEU 38 2HD2 LEU 38 -7.936 -0.744 -5.138 265 HD23 LEU 38 3HD2 LEU 38 -6.916 0.352 -6.070 266 H TYR 39 H TYR 39 -4.366 1.744 -8.236 267 HA TYR 39 HA TYR 39 -1.425 1.788 -8.151 268 HB2 TYR 39 1HB TYR 39 -2.961 3.387 -10.178 269 HB3 TYR 39 2HB TYR 39 -1.262 2.928 -10.191 270 HD1 TYR 39 1HD TYR 39 -4.702 1.599 -10.585 271 HD2 TYR 39 2HD TYR 39 -0.552 0.954 -11.265 272 HE1 TYR 39 1HE TYR 39 -5.242 -0.329 -12.013 273 HE2 TYR 39 2HE TYR 39 -1.080 -0.975 -12.696 274 HH TYR 39 HH TYR 39 -3.873 -2.547 -12.704 275 H VAL 40 H VAL 40 -0.579 4.086 -8.117 276 HA VAL 40 HA VAL 40 -1.990 5.528 -6.037 277 HB VAL 40 HB VAL 40 0.674 6.093 -7.345 278 HG11 VAL 40 1HG1 VAL 40 1.007 7.843 -5.900 279 HG12 VAL 40 2HG1 VAL 40 -0.728 7.990 -6.188 280 HG13 VAL 40 3HG1 VAL 40 -0.140 7.224 -4.712 281 HG21 VAL 40 1HG2 VAL 40 1.450 4.452 -6.065 282 HG22 VAL 40 2HG2 VAL 40 0.979 5.387 -4.646 283 HG23 VAL 40 3HG2 VAL 40 -0.139 4.211 -5.337 284 H LEU 41 H LEU 41 -3.714 6.606 -6.872 285 HA LEU 41 HA LEU 41 -4.091 7.762 -9.298 286 HB2 LEU 41 1HB LEU 41 -5.634 7.656 -7.239 287 HB3 LEU 41 2HB LEU 41 -4.927 9.212 -6.811 288 HG LEU 41 HG LEU 41 -7.018 9.610 -7.892 289 HD11 LEU 41 1HD1 LEU 41 -5.130 11.108 -8.451 290 HD12 LEU 41 2HD1 LEU 41 -6.345 11.014 -9.725 291 HD13 LEU 41 3HD1 LEU 41 -4.825 10.136 -9.891 292 HD21 LEU 41 1HD2 LEU 41 -7.523 7.673 -9.075 293 HD22 LEU 41 2HD2 LEU 41 -5.982 7.676 -9.933 294 HD23 LEU 41 3HD2 LEU 41 -7.225 8.858 -10.347 295 H ARG 42 H ARG 42 -2.997 9.661 -6.480 296 HA ARG 42 HA ARG 42 -1.027 11.029 -8.092 297 HB2 ARG 42 1HB ARG 42 -1.952 13.127 -8.171 298 HB3 ARG 42 2HB ARG 42 -3.408 12.150 -8.305 299 HG2 ARG 42 1HG ARG 42 -2.354 13.413 -5.783 300 HG3 ARG 42 2HG ARG 42 -3.719 13.985 -6.745 301 HD2 ARG 42 1HD ARG 42 -4.631 11.570 -6.358 302 HD3 ARG 42 2HD ARG 42 -3.499 11.565 -5.007 303 HE ARG 42 HE ARG 42 -4.877 13.014 -3.888 304 HH11 ARG 42 2HH1 ARG 42 -5.797 12.912 -7.244 305 HH12 ARG 42 1HH1 ARG 42 -7.243 13.837 -7.010 306 HH21 ARG 42 2HH2 ARG 42 -6.778 14.232 -3.567 307 HH22 ARG 42 1HH2 ARG 42 -7.800 14.588 -4.919 308 H LEU 43 H LEU 43 0.190 12.659 -6.762 309 HA LEU 43 HA LEU 43 0.293 11.772 -3.954 310 HB2 LEU 43 1HB LEU 43 2.396 12.339 -5.963 311 HB3 LEU 43 2HB LEU 43 2.729 12.807 -4.296 312 HG LEU 43 HG LEU 43 2.005 10.015 -5.183 313 HD11 LEU 43 1HD1 LEU 43 4.473 9.658 -4.500 314 HD12 LEU 43 2HD1 LEU 43 4.633 11.389 -4.794 315 HD13 LEU 43 3HD1 LEU 43 4.111 10.319 -6.095 316 HD21 LEU 43 1HD2 LEU 43 1.455 9.965 -2.981 317 HD22 LEU 43 2HD2 LEU 43 2.513 11.315 -2.569 318 HD23 LEU 43 3HD2 LEU 43 3.192 9.705 -2.819 319 H ALA 44 H ALA 44 0.754 13.326 -2.346 320 HA ALA 44 HA ALA 44 -0.229 15.982 -3.007 321 HB1 ALA 44 1HB ALA 44 0.179 14.456 -0.476 322 HB2 ALA 44 2HB ALA 44 0.058 16.215 -0.421 323 HB3 ALA 44 3HB ALA 44 -1.268 15.261 -1.086 324 H GLU 45 H GLU 45 1.112 17.572 -3.520 325 HA GLU 45 HA GLU 45 3.894 17.420 -3.426 326 HB2 GLU 45 1HB GLU 45 3.859 19.858 -3.860 327 HB3 GLU 45 2HB GLU 45 2.773 18.963 -4.913 328 HG2 GLU 45 1HG GLU 45 0.872 19.632 -3.580 329 HG3 GLU 45 2HG GLU 45 1.933 20.454 -2.438 330 H ASP 46 H ASP 46 1.592 18.478 -1.038 331 HA ASP 46 HA ASP 46 3.812 19.228 0.749 332 HB2 ASP 46 1HB ASP 46 2.008 20.965 0.135 333 HB3 ASP 46 2HB ASP 46 0.942 20.027 1.176 334 H GLY 47 H GLY 47 2.826 16.521 0.230 335 HA2 GLY 47 1HA GLY 47 1.709 15.879 2.887 336 HA3 GLY 47 2HA GLY 47 1.456 14.903 1.448 337 HA PRO 48 HA PRO 48 5.178 13.463 4.030 338 HB2 PRO 48 1HB PRO 48 4.066 11.221 5.083 339 HB3 PRO 48 2HB PRO 48 4.008 12.792 5.891 340 HG2 PRO 48 1HG PRO 48 1.912 11.431 4.243 341 HG3 PRO 48 2HG PRO 48 1.735 12.314 5.771 342 HD2 PRO 48 1HD PRO 48 1.133 13.418 3.372 343 HD3 PRO 48 2HD PRO 48 1.764 14.371 4.731 344 H ALA 49 H ALA 49 2.831 11.965 1.920 345 HA ALA 49 HA ALA 49 4.305 9.637 1.276 346 HB1 ALA 49 1HB ALA 49 2.817 9.782 -0.857 347 HB2 ALA 49 2HB ALA 49 2.077 9.462 0.712 348 HB3 ALA 49 3HB ALA 49 2.015 11.084 0.021 349 H ILE 50 H ILE 50 3.811 12.626 -0.615 350 HA ILE 50 HA ILE 50 5.612 12.055 -2.654 351 HB ILE 50 HB ILE 50 3.919 14.019 -2.400 352 HG12 ILE 50 1HG1 ILE 50 6.547 14.712 -3.697 353 HG13 ILE 50 2HG1 ILE 50 5.517 13.434 -4.333 354 HG21 ILE 50 1HG2 ILE 50 6.437 15.354 -1.420 355 HG22 ILE 50 2HG2 ILE 50 4.891 16.132 -1.752 356 HG23 ILE 50 3HG2 ILE 50 5.032 14.985 -0.420 357 HD11 ILE 50 1HD1 ILE 50 3.770 15.521 -4.056 358 HD12 ILE 50 2HD1 ILE 50 5.264 16.322 -4.545 359 HD13 ILE 50 3HD1 ILE 50 4.581 15.043 -5.548 360 H ARG 51 H ARG 51 6.242 12.717 0.606 361 HA ARG 51 HA ARG 51 8.940 13.712 0.110 362 HB2 ARG 51 1HB ARG 51 7.363 13.290 2.650 363 HB3 ARG 51 2HB ARG 51 9.040 13.818 2.626 364 HG2 ARG 51 1HG ARG 51 8.506 15.878 1.679 365 HG3 ARG 51 2HG ARG 51 6.925 15.318 1.130 366 HD2 ARG 51 1HD ARG 51 6.279 16.525 2.952 367 HD3 ARG 51 2HD ARG 51 6.554 14.965 3.725 368 HE ARG 51 HE ARG 51 8.877 16.649 3.702 369 HH11 ARG 51 2HH1 ARG 51 5.926 15.884 5.383 370 HH12 ARG 51 1HH1 ARG 51 6.486 16.484 6.908 371 HH21 ARG 51 2HH2 ARG 51 9.626 17.442 5.706 372 HH22 ARG 51 1HH2 ARG 51 8.590 17.370 7.091 373 H ASN 52 H ASN 52 7.291 10.785 0.763 374 HA ASN 52 HA ASN 52 9.362 9.362 2.070 375 HB2 ASN 52 1HB ASN 52 7.407 8.211 2.320 376 HB3 ASN 52 2HB ASN 52 6.804 8.680 0.733 377 HD21 ASN 52 1HD2 ASN 52 6.514 7.007 -0.529 378 HD22 ASN 52 2HD2 ASN 52 7.506 5.594 -0.603 379 H GLY 53 H GLY 53 8.289 9.328 -1.335 380 HA2 GLY 53 1HA GLY 53 9.750 9.337 -3.195 381 HA3 GLY 53 2HA GLY 53 11.058 8.823 -2.139 382 H ARG 54 H ARG 54 10.190 6.589 -0.966 383 HA ARG 54 HA ARG 54 10.643 4.569 -2.737 384 HB2 ARG 54 1HB ARG 54 9.064 4.614 -0.178 385 HB3 ARG 54 2HB ARG 54 9.272 3.126 -1.091 386 HG2 ARG 54 1HG ARG 54 11.673 4.740 -0.380 387 HG3 ARG 54 2HG ARG 54 10.902 3.738 0.852 388 HD2 ARG 54 1HD ARG 54 11.269 1.762 -0.388 389 HD3 ARG 54 2HD ARG 54 11.681 2.665 -1.846 390 HE ARG 54 HE ARG 54 13.559 3.421 -0.013 391 HH11 ARG 54 2HH1 ARG 54 12.477 0.386 -1.331 392 HH12 ARG 54 1HH1 ARG 54 14.019 -0.385 -1.166 393 HH21 ARG 54 2HH2 ARG 54 15.595 2.416 0.210 394 HH22 ARG 54 1HH2 ARG 54 15.792 0.770 -0.288 395 H MET 55 H MET 55 7.670 6.295 -2.228 396 HA MET 55 HA MET 55 6.372 4.583 -4.245 397 HB2 MET 55 1HB MET 55 4.368 4.645 -3.125 398 HB3 MET 55 2HB MET 55 5.480 4.695 -1.763 399 HG2 MET 55 1HG MET 55 4.021 6.359 -1.201 400 HG3 MET 55 2HG MET 55 5.265 7.275 -2.048 401 HE1 MET 55 1HE MET 55 1.805 5.898 -1.890 402 HE2 MET 55 2HE MET 55 1.635 7.633 -1.623 403 HE3 MET 55 3HE MET 55 0.899 6.881 -3.039 404 H ARG 56 H ARG 56 5.373 5.562 -5.950 405 HA ARG 56 HA ARG 56 5.240 8.491 -5.985 406 HB2 ARG 56 1HB ARG 56 6.846 6.738 -7.763 407 HB3 ARG 56 2HB ARG 56 5.991 8.071 -8.528 408 HG2 ARG 56 1HG ARG 56 8.067 8.974 -8.055 409 HG3 ARG 56 2HG ARG 56 7.075 9.529 -6.705 410 HD2 ARG 56 1HD ARG 56 8.126 8.175 -5.198 411 HD3 ARG 56 2HD ARG 56 8.500 6.943 -6.403 412 HE ARG 56 HE ARG 56 10.501 7.978 -6.778 413 HH11 ARG 56 2HH1 ARG 56 8.377 10.192 -5.132 414 HH12 ARG 56 1HH1 ARG 56 9.600 11.396 -4.898 415 HH21 ARG 56 2HH2 ARG 56 12.120 9.556 -6.475 416 HH22 ARG 56 1HH2 ARG 56 11.729 11.034 -5.663 417 H VAL 57 H VAL 57 4.268 9.015 -8.394 418 HA VAL 57 HA VAL 57 1.672 7.680 -8.355 419 HB VAL 57 HB VAL 57 2.547 10.131 -9.891 420 HG11 VAL 57 1HG1 VAL 57 -0.287 9.365 -9.317 421 HG12 VAL 57 2HG1 VAL 57 0.354 10.421 -10.577 422 HG13 VAL 57 3HG1 VAL 57 0.559 8.673 -10.700 423 HG21 VAL 57 1HG2 VAL 57 1.212 9.778 -7.226 424 HG22 VAL 57 2HG2 VAL 57 2.630 10.746 -7.632 425 HG23 VAL 57 3HG2 VAL 57 1.029 11.260 -8.165 426 H GLY 58 H GLY 58 1.467 5.937 -9.601 427 HA2 GLY 58 1HA GLY 58 1.187 5.535 -12.119 428 HA3 GLY 58 2HA GLY 58 2.912 5.864 -12.168 429 H ASP 59 H ASP 59 3.047 4.479 -9.432 430 HA ASP 59 HA ASP 59 3.736 1.903 -10.465 431 HB2 ASP 59 1HB ASP 59 3.511 2.563 -7.538 432 HB3 ASP 59 2HB ASP 59 4.609 1.436 -8.330 433 H GLN 60 H GLN 60 3.011 -0.063 -9.009 434 HA GLN 60 HA GLN 60 0.075 0.044 -8.790 435 HB2 GLN 60 1HB GLN 60 1.102 -1.284 -10.745 436 HB3 GLN 60 2HB GLN 60 1.600 -2.444 -9.521 437 HG2 GLN 60 1HG GLN 60 -1.004 -2.167 -8.889 438 HG3 GLN 60 2HG GLN 60 -1.063 -1.882 -10.628 439 HE21 GLN 60 1HE2 GLN 60 -1.356 -4.185 -8.355 440 HE22 GLN 60 2HE2 GLN 60 -0.917 -5.581 -9.273 441 H ILE 61 H ILE 61 -0.646 -0.306 -6.806 442 HA ILE 61 HA ILE 61 1.111 -1.351 -4.765 443 HB ILE 61 HB ILE 61 -1.796 -0.604 -4.467 444 HG12 ILE 61 1HG1 ILE 61 0.520 1.214 -3.847 445 HG13 ILE 61 2HG1 ILE 61 -0.211 1.189 -5.448 446 HG21 ILE 61 1HG2 ILE 61 -0.911 -0.082 -2.107 447 HG22 ILE 61 2HG2 ILE 61 -1.157 -1.769 -2.556 448 HG23 ILE 61 3HG2 ILE 61 0.467 -1.082 -2.563 449 HD11 ILE 61 1HD1 ILE 61 -1.077 2.977 -3.986 450 HD12 ILE 61 2HD1 ILE 61 -2.328 1.866 -4.545 451 HD13 ILE 61 3HD1 ILE 61 -1.708 1.740 -2.898 452 H ILE 62 H ILE 62 1.321 -3.446 -4.383 453 HA ILE 62 HA ILE 62 -0.878 -5.256 -5.100 454 HB ILE 62 HB ILE 62 1.092 -6.970 -4.544 455 HG12 ILE 62 1HG1 ILE 62 2.534 -4.862 -4.014 456 HG13 ILE 62 2HG1 ILE 62 3.245 -6.179 -4.940 457 HG21 ILE 62 1HG2 ILE 62 0.037 -7.092 -6.620 458 HG22 ILE 62 2HG2 ILE 62 0.519 -5.457 -7.067 459 HG23 ILE 62 3HG2 ILE 62 1.719 -6.749 -7.025 460 HD11 ILE 62 1HD1 ILE 62 1.934 -3.959 -6.412 461 HD12 ILE 62 2HD1 ILE 62 3.518 -3.685 -5.686 462 HD13 ILE 62 3HD1 ILE 62 3.302 -4.972 -6.872 463 H GLU 63 H GLU 63 0.828 -3.939 -2.430 464 HA GLU 63 HA GLU 63 -0.679 -5.699 -0.622 465 HB2 GLU 63 1HB GLU 63 1.909 -6.117 -0.869 466 HB3 GLU 63 2HB GLU 63 2.027 -4.715 0.185 467 HG2 GLU 63 1HG GLU 63 0.381 -5.980 1.701 468 HG3 GLU 63 2HG GLU 63 0.828 -7.396 0.751 469 H ILE 64 H ILE 64 -1.324 -4.765 1.351 470 HA ILE 64 HA ILE 64 -0.842 -1.900 1.696 471 HB ILE 64 HB ILE 64 -3.589 -3.142 1.542 472 HG12 ILE 64 1HG1 ILE 64 -2.403 -0.845 -0.026 473 HG13 ILE 64 2HG1 ILE 64 -2.448 -2.506 -0.607 474 HG21 ILE 64 1HG2 ILE 64 -2.863 -0.314 2.293 475 HG22 ILE 64 2HG2 ILE 64 -4.485 -0.996 2.182 476 HG23 ILE 64 3HG2 ILE 64 -3.376 -1.561 3.431 477 HD11 ILE 64 1HD1 ILE 64 -4.301 -0.730 -1.240 478 HD12 ILE 64 2HD1 ILE 64 -4.674 -2.441 -1.025 479 HD13 ILE 64 3HD1 ILE 64 -5.001 -1.297 0.276 480 H ASN 65 H ASN 65 -0.420 -1.421 3.750 481 HA ASN 65 HA ASN 65 0.133 -1.933 5.940 482 HB2 ASN 65 1HB ASN 65 -2.820 -1.761 5.619 483 HB3 ASN 65 2HB ASN 65 -2.211 -2.305 7.180 484 HD21 ASN 65 1HD2 ASN 65 -3.454 0.256 5.940 485 HD22 ASN 65 2HD2 ASN 65 -2.490 1.514 6.628 486 H GLY 66 H GLY 66 0.711 -4.185 4.571 487 HA2 GLY 66 1HA GLY 66 1.020 -6.446 4.818 488 HA3 GLY 66 2HA GLY 66 0.616 -6.191 6.509 489 H GLU 67 H GLU 67 -1.405 -5.750 3.628 490 HA GLU 67 HA GLU 67 -3.067 -8.005 4.499 491 HB2 GLU 67 1HB GLU 67 -4.184 -5.314 3.701 492 HB3 GLU 67 2HB GLU 67 -5.104 -6.723 4.210 493 HG2 GLU 67 1HG GLU 67 -3.682 -6.506 6.386 494 HG3 GLU 67 2HG GLU 67 -3.458 -4.847 5.834 495 H SER 68 H SER 68 -2.986 -9.380 2.851 496 HA SER 68 HA SER 68 -2.208 -8.998 0.284 497 HB2 SER 68 1HB SER 68 -3.494 -11.001 -0.324 498 HB3 SER 68 2HB SER 68 -2.708 -11.212 1.241 499 HG SER 68 HG SER 68 -4.599 -11.454 2.105 500 H THR 69 H THR 69 -2.830 -7.443 -1.064 501 HA THR 69 HA THR 69 -5.522 -6.418 -1.080 502 HB THR 69 HB THR 69 -4.777 -4.777 -2.599 503 HG1 THR 69 1HG THR 69 -2.565 -5.124 -3.563 504 HG21 THR 69 1HG2 THR 69 -3.788 -4.186 -0.587 505 HG22 THR 69 2HG2 THR 69 -2.405 -4.206 -1.681 506 HG23 THR 69 3HG2 THR 69 -2.695 -5.569 -0.601 507 H ARG 70 H ARG 70 -6.024 -8.898 -1.613 508 HA ARG 70 HA ARG 70 -6.217 -9.150 -4.540 509 HB2 ARG 70 1HB ARG 70 -6.422 -11.545 -4.221 510 HB3 ARG 70 2HB ARG 70 -4.977 -10.963 -3.406 511 HG2 ARG 70 1HG ARG 70 -6.376 -10.901 -1.289 512 HG3 ARG 70 2HG ARG 70 -7.578 -11.828 -2.189 513 HD2 ARG 70 1HD ARG 70 -5.808 -13.517 -2.671 514 HD3 ARG 70 2HD ARG 70 -4.730 -12.621 -1.602 515 HE ARG 70 HE ARG 70 -6.922 -13.098 -0.068 516 HH11 ARG 70 2HH1 ARG 70 -4.787 -15.105 -1.947 517 HH12 ARG 70 1HH1 ARG 70 -4.980 -16.492 -0.926 518 HH21 ARG 70 2HH2 ARG 70 -7.185 -14.916 1.284 519 HH22 ARG 70 1HH2 ARG 70 -6.345 -16.384 0.911 520 H ASP 71 H ASP 71 -8.175 -9.420 -5.501 521 HA ASP 71 HA ASP 71 -10.426 -9.190 -5.774 522 HB2 ASP 71 1HB ASP 71 -10.561 -10.821 -3.230 523 HB3 ASP 71 2HB ASP 71 -11.822 -10.671 -4.450 524 H MET 72 H MET 72 -9.135 -7.071 -4.377 525 HA MET 72 HA MET 72 -11.202 -6.244 -2.455 526 HB2 MET 72 1HB MET 72 -8.515 -4.934 -2.833 527 HB3 MET 72 2HB MET 72 -9.617 -4.771 -1.473 528 HG2 MET 72 1HG MET 72 -9.193 -7.381 -1.306 529 HG3 MET 72 2HG MET 72 -7.694 -6.928 -2.114 530 HE1 MET 72 1HE MET 72 -7.609 -3.685 -0.145 531 HE2 MET 72 2HE MET 72 -6.045 -4.448 0.140 532 HE3 MET 72 3HE MET 72 -6.797 -4.545 -1.453 533 H THR 73 H THR 73 -11.954 -4.039 -2.533 534 HA THR 73 HA THR 73 -11.991 -2.994 -5.282 535 HB THR 73 HB THR 73 -14.073 -1.839 -4.659 536 HG1 THR 73 1HG THR 73 -13.378 -2.841 -2.145 537 HG21 THR 73 1HG2 THR 73 -14.904 -3.726 -5.537 538 HG22 THR 73 2HG2 THR 73 -15.194 -4.236 -3.874 539 HG23 THR 73 3HG2 THR 73 -13.719 -4.730 -4.703 540 H HIS 74 H HIS 74 -11.634 -0.823 -5.696 541 HA HIS 74 HA HIS 74 -9.669 0.551 -4.522 542 HB2 HIS 74 1HB HIS 74 -10.975 1.252 -6.560 543 HB3 HIS 74 2HB HIS 74 -12.173 1.951 -5.475 544 HD1 HIS 74 1HD HIS 74 -11.508 4.221 -6.753 545 HD2 HIS 74 2HD HIS 74 -8.605 2.593 -4.267 546 HE1 HIS 74 1HE HIS 74 -9.854 6.072 -6.348 547 HE2 HIS 74 2HE HIS 74 -8.063 5.039 -4.910 548 H ALA 75 H ALA 75 -12.982 0.431 -3.358 549 HA ALA 75 HA ALA 75 -12.852 2.456 -1.431 550 HB1 ALA 75 1HB ALA 75 -14.456 0.117 -0.685 551 HB2 ALA 75 2HB ALA 75 -14.929 1.805 -0.885 552 HB3 ALA 75 3HB ALA 75 -14.786 0.757 -2.295 553 H ARG 76 H ARG 76 -12.187 -1.026 -1.135 554 HA ARG 76 HA ARG 76 -11.625 -1.112 1.583 555 HB2 ARG 76 1HB ARG 76 -11.842 -3.157 0.368 556 HB3 ARG 76 2HB ARG 76 -10.522 -2.729 -0.712 557 HG2 ARG 76 1HG ARG 76 -9.834 -4.416 0.894 558 HG3 ARG 76 2HG ARG 76 -8.941 -2.913 1.134 559 HD2 ARG 76 1HD ARG 76 -9.960 -2.465 3.130 560 HD3 ARG 76 2HD ARG 76 -11.442 -3.309 2.685 561 HE ARG 76 HE ARG 76 -9.194 -5.060 3.016 562 HH11 ARG 76 2HH1 ARG 76 -11.766 -3.381 4.656 563 HH12 ARG 76 1HH1 ARG 76 -11.807 -4.482 5.993 564 HH21 ARG 76 2HH2 ARG 76 -9.239 -6.516 4.772 565 HH22 ARG 76 1HH2 ARG 76 -10.369 -6.263 6.059 566 H ALA 77 H ALA 77 -9.201 -0.967 -1.035 567 HA ALA 77 HA ALA 77 -6.943 -0.565 0.452 568 HB1 ALA 77 1HB ALA 77 -7.545 0.802 -2.167 569 HB2 ALA 77 2HB ALA 77 -5.950 0.470 -1.492 570 HB3 ALA 77 3HB ALA 77 -6.988 -0.863 -1.996 571 H ILE 78 H ILE 78 -9.502 1.706 -0.188 572 HA ILE 78 HA ILE 78 -8.025 4.018 0.675 573 HB ILE 78 HB ILE 78 -10.978 3.608 0.203 574 HG12 ILE 78 1HG1 ILE 78 -9.220 3.571 -1.717 575 HG13 ILE 78 2HG1 ILE 78 -10.665 4.560 -1.901 576 HG21 ILE 78 1HG2 ILE 78 -11.169 6.050 0.315 577 HG22 ILE 78 2HG2 ILE 78 -10.641 5.361 1.850 578 HG23 ILE 78 3HG2 ILE 78 -9.474 6.154 0.791 579 HD11 ILE 78 1HD1 ILE 78 -8.721 5.769 -2.650 580 HD12 ILE 78 2HD1 ILE 78 -9.376 6.528 -1.198 581 HD13 ILE 78 3HD1 ILE 78 -7.932 5.522 -1.092 582 H GLU 79 H GLU 79 -10.142 1.658 2.143 583 HA GLU 79 HA GLU 79 -10.406 3.171 4.600 584 HB2 GLU 79 1HB GLU 79 -12.020 1.673 5.205 585 HB3 GLU 79 2HB GLU 79 -12.077 1.444 3.463 586 HG2 GLU 79 1HG GLU 79 -10.709 -0.527 3.627 587 HG3 GLU 79 2HG GLU 79 -10.482 -0.266 5.355 588 H LEU 80 H LEU 80 -8.333 0.765 3.266 589 HA LEU 80 HA LEU 80 -7.383 -0.346 5.706 590 HB2 LEU 80 1HB LEU 80 -6.224 -0.260 2.930 591 HB3 LEU 80 2HB LEU 80 -5.464 -1.115 4.271 592 HG LEU 80 HG LEU 80 -8.097 -1.741 2.947 593 HD11 LEU 80 1HD1 LEU 80 -5.648 -3.453 3.307 594 HD12 LEU 80 2HD1 LEU 80 -5.960 -2.485 1.867 595 HD13 LEU 80 3HD1 LEU 80 -7.066 -3.785 2.312 596 HD21 LEU 80 1HD2 LEU 80 -6.881 -2.891 5.455 597 HD22 LEU 80 2HD2 LEU 80 -8.209 -3.631 4.560 598 HD23 LEU 80 3HD2 LEU 80 -8.422 -2.045 5.304 599 H ILE 81 H ILE 81 -6.308 2.298 3.627 600 HA ILE 81 HA ILE 81 -3.871 2.834 4.915 601 HB ILE 81 HB ILE 81 -5.653 4.855 3.553 602 HG12 ILE 81 1HG1 ILE 81 -3.408 3.397 2.200 603 HG13 ILE 81 2HG1 ILE 81 -5.000 2.653 2.299 604 HG21 ILE 81 1HG2 ILE 81 -3.131 5.594 2.982 605 HG22 ILE 81 2HG2 ILE 81 -4.034 6.195 4.372 606 HG23 ILE 81 3HG2 ILE 81 -2.887 4.871 4.572 607 HD11 ILE 81 1HD1 ILE 81 -4.099 4.420 0.368 608 HD12 ILE 81 2HD1 ILE 81 -5.763 3.898 0.635 609 HD13 ILE 81 3HD1 ILE 81 -5.173 5.382 1.383 610 H LYS 82 H LYS 82 -7.161 3.704 5.691 611 HA LYS 82 HA LYS 82 -6.266 5.480 7.838 612 HB2 LYS 82 1HB LYS 82 -8.886 5.671 8.075 613 HB3 LYS 82 2HB LYS 82 -8.024 6.550 6.819 614 HG2 LYS 82 1HG LYS 82 -8.604 4.840 5.195 615 HG3 LYS 82 2HG LYS 82 -9.421 3.906 6.450 616 HD2 LYS 82 1HD LYS 82 -11.114 5.079 5.279 617 HD3 LYS 82 2HD LYS 82 -10.900 5.921 6.815 618 HE2 LYS 82 1HE LYS 82 -9.361 7.503 5.613 619 HE3 LYS 82 2HE LYS 82 -9.862 6.737 4.107 620 HZ1 LYS 82 1HZ LYS 82 -12.152 7.415 5.576 621 HZ2 LYS 82 2HZ LYS 82 -11.647 8.020 4.080 622 HZ3 LYS 82 3HZ LYS 82 -11.150 8.777 5.509 623 H SER 83 H SER 83 -7.200 2.267 7.325 624 HA SER 83 HA SER 83 -8.373 1.800 9.908 625 HB2 SER 83 1HB SER 83 -9.083 0.362 8.131 626 HB3 SER 83 2HB SER 83 -7.420 -0.057 7.723 627 HG SER 83 HG SER 83 -9.056 -1.031 9.727 628 H GLY 84 H GLY 84 -5.187 1.597 8.483 629 HA2 GLY 84 1HA GLY 84 -3.981 0.044 10.536 630 HA3 GLY 84 2HA GLY 84 -3.136 1.043 9.363 631 H GLY 85 H GLY 85 -4.295 3.534 10.017 632 HA2 GLY 85 1HA GLY 85 -4.599 4.751 12.208 633 HA3 GLY 85 2HA GLY 85 -3.117 3.941 12.695 634 H ARG 86 H ARG 86 -1.626 5.490 12.865 635 HA ARG 86 HA ARG 86 -1.554 7.685 10.965 636 HB2 ARG 86 1HB ARG 86 -0.336 7.099 13.601 637 HB3 ARG 86 2HB ARG 86 0.610 8.108 12.515 638 HG2 ARG 86 1HG ARG 86 -1.059 9.767 12.437 639 HG3 ARG 86 2HG ARG 86 -2.258 8.700 13.171 640 HD2 ARG 86 1HD ARG 86 -0.942 8.688 15.250 641 HD3 ARG 86 2HD ARG 86 0.211 9.798 14.510 642 HE ARG 86 HE ARG 86 -1.214 11.500 15.009 643 HH11 ARG 86 2HH1 ARG 86 -3.033 8.533 14.918 644 HH12 ARG 86 1HH1 ARG 86 -4.514 9.273 15.429 645 HH21 ARG 86 2HH2 ARG 86 -3.158 12.486 15.683 646 HH22 ARG 86 1HH2 ARG 86 -4.584 11.521 15.863 647 H ARG 87 H ARG 87 -0.120 4.625 11.364 648 HA ARG 87 HA ARG 87 2.016 5.326 9.458 649 HB2 ARG 87 1HB ARG 87 1.982 2.986 11.370 650 HB3 ARG 87 2HB ARG 87 3.317 3.491 10.342 651 HG2 ARG 87 1HG ARG 87 3.709 5.426 11.631 652 HG3 ARG 87 2HG ARG 87 2.178 5.251 12.491 653 HD2 ARG 87 1HD ARG 87 4.217 3.075 12.645 654 HD3 ARG 87 2HD ARG 87 4.421 4.529 13.622 655 HE ARG 87 HE ARG 87 2.394 2.477 13.941 656 HH11 ARG 87 2HH1 ARG 87 3.516 5.660 14.794 657 HH12 ARG 87 1HH1 ARG 87 2.582 5.741 16.251 658 HH21 ARG 87 2HH2 ARG 87 1.160 2.571 15.858 659 HH22 ARG 87 1HH2 ARG 87 1.243 3.983 16.856 660 H VAL 88 H VAL 88 1.918 4.441 7.500 661 HA VAL 88 HA VAL 88 0.242 2.045 7.124 662 HB VAL 88 HB VAL 88 -0.856 4.088 6.231 663 HG11 VAL 88 1HG1 VAL 88 1.185 4.184 4.055 664 HG12 VAL 88 2HG1 VAL 88 0.058 5.429 4.595 665 HG13 VAL 88 3HG1 VAL 88 1.480 5.045 5.565 666 HG21 VAL 88 1HG2 VAL 88 -0.376 1.613 4.902 667 HG22 VAL 88 2HG2 VAL 88 -1.811 2.637 4.847 668 HG23 VAL 88 3HG2 VAL 88 -0.501 2.891 3.693 669 H ARG 89 H ARG 89 0.971 0.501 5.689 670 HA ARG 89 HA ARG 89 3.539 0.978 4.357 671 HB2 ARG 89 1HB ARG 89 2.914 -1.167 6.359 672 HB3 ARG 89 2HB ARG 89 4.099 -1.457 5.093 673 HG2 ARG 89 1HG ARG 89 5.253 0.655 5.883 674 HG3 ARG 89 2HG ARG 89 4.192 0.583 7.291 675 HD2 ARG 89 1HD ARG 89 5.035 -1.676 7.783 676 HD3 ARG 89 2HD ARG 89 6.126 -1.554 6.403 677 HE ARG 89 HE ARG 89 7.505 -0.201 7.646 678 HH11 ARG 89 2HH1 ARG 89 4.446 -0.554 9.268 679 HH12 ARG 89 1HH1 ARG 89 4.987 0.198 10.732 680 HH21 ARG 89 2HH2 ARG 89 8.230 0.792 9.567 681 HH22 ARG 89 1HH2 ARG 89 7.139 0.965 10.900 682 H LEU 90 H LEU 90 3.445 0.392 2.296 683 HA LEU 90 HA LEU 90 1.758 -1.874 1.519 684 HB2 LEU 90 1HB LEU 90 1.344 -0.284 -0.598 685 HB3 LEU 90 2HB LEU 90 0.251 -0.376 0.782 686 HG LEU 90 HG LEU 90 2.397 1.642 0.972 687 HD11 LEU 90 1HD1 LEU 90 0.787 1.471 -1.383 688 HD12 LEU 90 2HD1 LEU 90 2.005 2.670 -0.950 689 HD13 LEU 90 3HD1 LEU 90 0.327 2.900 -0.458 690 HD21 LEU 90 1HD2 LEU 90 0.810 2.829 2.174 691 HD22 LEU 90 2HD2 LEU 90 0.414 1.154 2.559 692 HD23 LEU 90 3HD2 LEU 90 -0.544 2.036 1.369 693 H LEU 91 H LEU 91 2.422 -2.960 -0.353 694 HA LEU 91 HA LEU 91 5.232 -2.584 -0.994 695 HB2 LEU 91 1HB LEU 91 4.220 -4.821 -0.474 696 HB3 LEU 91 2HB LEU 91 3.353 -4.710 -2.004 697 HG LEU 91 HG LEU 91 6.334 -4.916 -1.605 698 HD11 LEU 91 1HD1 LEU 91 5.368 -7.047 -1.390 699 HD12 LEU 91 2HD1 LEU 91 5.938 -6.960 -3.056 700 HD13 LEU 91 3HD1 LEU 91 4.223 -6.752 -2.699 701 HD21 LEU 91 1HD2 LEU 91 4.716 -4.371 -4.084 702 HD22 LEU 91 2HD2 LEU 91 6.362 -5.004 -4.125 703 HD23 LEU 91 3HD2 LEU 91 6.043 -3.419 -3.418 704 H LEU 92 H LEU 92 5.704 -1.155 -2.530 705 HA LEU 92 HA LEU 92 4.048 -1.137 -4.968 706 HB2 LEU 92 1HB LEU 92 3.982 0.920 -3.444 707 HB3 LEU 92 2HB LEU 92 5.632 1.217 -3.988 708 HG LEU 92 HG LEU 92 4.598 1.132 -6.367 709 HD11 LEU 92 1HD1 LEU 92 2.327 0.516 -4.979 710 HD12 LEU 92 2HD1 LEU 92 2.378 1.158 -6.621 711 HD13 LEU 92 3HD1 LEU 92 2.138 2.248 -5.256 712 HD21 LEU 92 1HD2 LEU 92 4.923 3.221 -4.414 713 HD22 LEU 92 2HD2 LEU 92 3.603 3.604 -5.520 714 HD23 LEU 92 3HD2 LEU 92 5.213 3.256 -6.153 715 H LYS 93 H LYS 93 5.083 -1.100 -6.934 716 HA LYS 93 HA LYS 93 8.023 -1.278 -6.877 717 HB2 LYS 93 1HB LYS 93 7.991 -3.042 -8.486 718 HB3 LYS 93 2HB LYS 93 6.887 -3.499 -7.196 719 HG2 LYS 93 1HG LYS 93 5.948 -2.182 -9.726 720 HG3 LYS 93 2HG LYS 93 6.119 -3.932 -9.568 721 HD2 LYS 93 1HD LYS 93 4.687 -3.519 -7.386 722 HD3 LYS 93 2HD LYS 93 4.178 -2.082 -8.274 723 HE2 LYS 93 1HE LYS 93 2.655 -3.948 -8.666 724 HE3 LYS 93 2HE LYS 93 3.483 -3.480 -10.150 725 HZ1 LYS 93 1HZ LYS 93 4.141 -5.569 -10.353 726 HZ2 LYS 93 2HZ LYS 93 3.451 -5.989 -8.867 727 HZ3 LYS 93 3HZ LYS 93 5.044 -5.424 -8.930 728 H ARG 94 H ARG 94 9.103 -0.117 -8.377 729 HA ARG 94 HA ARG 94 7.479 1.392 -10.315 730 HB2 ARG 94 1HB ARG 94 8.551 2.824 -8.662 731 HB3 ARG 94 2HB ARG 94 10.117 2.112 -9.027 732 HG2 ARG 94 1HG ARG 94 10.073 4.188 -10.127 733 HG3 ARG 94 2HG ARG 94 9.820 2.974 -11.381 734 HD2 ARG 94 1HD ARG 94 7.388 3.376 -11.233 735 HD3 ARG 94 2HD ARG 94 7.693 4.643 -10.045 736 HE ARG 94 HE ARG 94 9.204 5.384 -12.173 737 HH11 ARG 94 2HH1 ARG 94 5.848 4.556 -11.761 738 HH12 ARG 94 1HH1 ARG 94 5.301 5.589 -13.040 739 HH21 ARG 94 2HH2 ARG 94 8.497 6.748 -13.859 740 HH22 ARG 94 1HH2 ARG 94 6.809 6.835 -14.233 741 H GLY 95 H GLY 95 8.115 1.517 -12.447 742 HA2 GLY 95 1HA GLY 95 9.847 -0.623 -13.348 743 HA3 GLY 95 2HA GLY 95 8.885 0.442 -14.362 744 H THR 96 H THR 96 11.423 1.102 -11.958 745 HA THR 96 HA THR 96 12.709 2.889 -13.869 746 HB THR 96 HB THR 96 12.387 3.731 -11.600 747 HG1 THR 96 1HG THR 96 15.131 3.205 -12.180 748 HG21 THR 96 1HG2 THR 96 13.982 2.671 -9.836 749 HG22 THR 96 2HG2 THR 96 13.889 1.245 -10.869 750 HG23 THR 96 3HG2 THR 96 12.422 1.916 -10.156 751 H GLY 97 H GLY 97 12.961 -0.315 -12.863 752 HA2 GLY 97 1HA GLY 97 15.751 -0.717 -12.861 753 HA3 GLY 97 2HA GLY 97 14.540 -1.950 -13.182 754 H SER 98 H SER 98 13.446 -1.541 -15.458 755 HA SER 98 HA SER 98 15.021 -0.430 -17.522 756 HB2 SER 98 1HB SER 98 15.375 -3.363 -16.948 757 HB3 SER 98 2HB SER 98 15.565 -2.731 -18.584 758 HG SER 98 HG SER 98 17.298 -1.579 -17.956 759 H GLY 99 H GLY 99 14.138 -0.854 -19.658 760 HA2 GLY 99 1HA GLY 99 11.549 -2.226 -19.699 761 HA3 GLY 99 2HA GLY 99 11.579 -0.519 -20.113 762 HA PRO 100 HA PRO 100 13.282 -3.458 -23.602 763 HB2 PRO 100 1HB PRO 100 11.178 -4.988 -24.379 764 HB3 PRO 100 2HB PRO 100 12.365 -5.522 -23.183 765 HG2 PRO 100 1HG PRO 100 9.635 -4.368 -22.758 766 HG3 PRO 100 2HG PRO 100 10.411 -5.736 -21.940 767 HD2 PRO 100 1HD PRO 100 10.266 -3.269 -20.834 768 HD3 PRO 100 2HD PRO 100 11.626 -4.370 -20.537 769 H SER 101 H SER 101 13.343 -1.833 -25.053 770 HA SER 101 HA SER 101 12.690 -0.282 -26.591 771 HB2 SER 101 1HB SER 101 10.536 -2.360 -27.048 772 HB3 SER 101 2HB SER 101 10.897 -1.028 -28.147 773 HG SER 101 HG SER 101 13.135 -1.963 -28.074 774 H SER 102 H SER 102 11.879 0.381 -24.047 775 HA SER 102 HA SER 102 9.089 1.077 -24.014 776 HB2 SER 102 1HB SER 102 10.125 0.604 -21.899 777 HB3 SER 102 2HB SER 102 11.394 1.793 -22.192 778 HG SER 102 HG SER 102 10.104 3.089 -21.159 779 H GLY 103 H GLY 103 8.210 3.182 -24.056 780 HA2 GLY 103 1HA GLY 103 9.759 5.505 -24.572 781 HA3 GLY 103 2HA GLY 103 9.119 4.856 -26.075 Start of MODEL 18 1 H1 GLY 1 H GLY 1 16.779 -25.407 -8.716 2 HA2 GLY 1 1HA GLY 1 17.916 -25.770 -6.304 3 HA3 GLY 1 2HA GLY 1 17.561 -24.164 -6.922 4 H SER 2 H SER 2 15.043 -23.684 -6.665 5 HA SER 2 HA SER 2 14.372 -24.324 -3.867 6 HB2 SER 2 1HB SER 2 13.320 -22.099 -3.724 7 HB3 SER 2 2HB SER 2 15.031 -21.974 -4.131 8 HG SER 2 HG SER 2 14.398 -21.710 -6.321 9 H SER 3 H SER 3 12.564 -25.439 -3.611 10 HA SER 3 HA SER 3 10.912 -26.333 -5.619 11 HB2 SER 3 1HB SER 3 10.110 -25.864 -2.737 12 HB3 SER 3 2HB SER 3 9.321 -26.961 -3.870 13 HG SER 3 HG SER 3 11.846 -27.177 -2.646 14 H GLY 4 H GLY 4 9.734 -25.191 -7.004 15 HA2 GLY 4 1HA GLY 4 7.687 -23.965 -7.369 16 HA3 GLY 4 2HA GLY 4 8.050 -23.023 -5.931 17 H SER 5 H SER 5 7.551 -22.373 -8.869 18 HA SER 5 HA SER 5 10.001 -20.802 -9.328 19 HB2 SER 5 1HB SER 5 7.964 -21.912 -11.260 20 HB3 SER 5 2HB SER 5 9.131 -20.674 -11.724 21 HG SER 5 HG SER 5 10.565 -22.185 -11.899 22 H SER 6 H SER 6 9.513 -18.968 -8.185 23 HA SER 6 HA SER 6 7.037 -17.552 -8.902 24 HB2 SER 6 1HB SER 6 7.236 -17.925 -6.518 25 HB3 SER 6 2HB SER 6 8.863 -17.244 -6.507 26 HG SER 6 HG SER 6 6.395 -15.969 -6.641 27 H GLY 7 H GLY 7 7.289 -16.074 -10.436 28 HA2 GLY 7 1HA GLY 7 9.648 -15.100 -11.471 29 HA3 GLY 7 2HA GLY 7 8.111 -14.253 -11.574 30 H GLN 8 H GLN 8 10.471 -12.851 -11.451 31 HA GLN 8 HA GLN 8 10.322 -11.665 -8.760 32 HB2 GLN 8 1HB GLN 8 12.741 -12.187 -10.474 33 HB3 GLN 8 2HB GLN 8 12.759 -10.993 -9.183 34 HG2 GLN 8 1HG GLN 8 12.054 -12.819 -7.617 35 HG3 GLN 8 2HG GLN 8 12.325 -13.956 -8.937 36 HE21 GLN 8 1HE2 GLN 8 14.454 -14.203 -9.753 37 HE22 GLN 8 2HE2 GLN 8 15.825 -13.824 -8.773 38 H ASP 9 H ASP 9 8.894 -10.055 -9.359 39 HA ASP 9 HA ASP 9 8.844 -8.518 -11.624 40 HB2 ASP 9 1HB ASP 9 8.090 -7.987 -8.782 41 HB3 ASP 9 2HB ASP 9 8.070 -6.645 -9.923 42 H PHE 10 H PHE 10 9.371 -6.068 -11.655 43 HA PHE 10 HA PHE 10 12.023 -5.655 -12.027 44 HB2 PHE 10 1HB PHE 10 10.227 -3.499 -10.914 45 HB3 PHE 10 2HB PHE 10 11.609 -3.301 -11.987 46 HD1 PHE 10 2HD PHE 10 11.122 -5.330 -14.025 47 HD2 PHE 10 1HD PHE 10 8.399 -2.701 -12.077 48 HE1 PHE 10 2HE PHE 10 9.624 -5.442 -15.974 49 HE2 PHE 10 1HE PHE 10 6.897 -2.810 -14.022 50 HZ PHE 10 HZ PHE 10 7.509 -4.181 -15.974 51 H ASP 11 H ASP 11 10.264 -4.904 -9.025 52 HA ASP 11 HA ASP 11 12.360 -5.716 -7.335 53 HB2 ASP 11 1HB ASP 11 12.319 -2.843 -8.137 54 HB3 ASP 11 2HB ASP 11 12.688 -3.228 -6.458 55 H TYR 12 H TYR 12 11.003 -6.584 -5.895 56 HA TYR 12 HA TYR 12 8.550 -5.279 -5.131 57 HB2 TYR 12 1HB TYR 12 9.886 -7.862 -4.370 58 HB3 TYR 12 2HB TYR 12 8.489 -7.272 -3.477 59 HD1 TYR 12 1HD TYR 12 6.773 -6.172 -5.547 60 HD2 TYR 12 2HD TYR 12 9.177 -9.682 -5.618 61 HE1 TYR 12 1HE TYR 12 5.276 -7.157 -7.232 62 HE2 TYR 12 2HE TYR 12 7.688 -10.676 -7.303 63 HH TYR 12 HH TYR 12 5.153 -10.325 -7.954 64 H PHE 13 H PHE 13 9.303 -3.340 -4.190 65 HA PHE 13 HA PHE 13 10.712 -3.648 -1.626 66 HB2 PHE 13 1HB PHE 13 11.455 -1.392 -1.839 67 HB3 PHE 13 2HB PHE 13 11.718 -2.155 -3.403 68 HD1 PHE 13 2HD PHE 13 9.330 -0.005 -1.544 69 HD2 PHE 13 1HD PHE 13 10.843 -1.209 -5.335 70 HE1 PHE 13 2HE PHE 13 8.028 1.779 -2.626 71 HE2 PHE 13 1HE PHE 13 9.544 0.575 -6.424 72 HZ PHE 13 HZ PHE 13 8.132 2.071 -5.069 73 H THR 14 H THR 14 9.923 -2.650 0.233 74 HA THR 14 HA THR 14 7.039 -2.224 0.221 75 HB THR 14 HB THR 14 7.238 -2.253 2.692 76 HG1 THR 14 1HG THR 14 9.161 -2.312 3.645 77 HG21 THR 14 1HG2 THR 14 8.651 -4.600 1.424 78 HG22 THR 14 2HG2 THR 14 6.908 -4.338 1.357 79 HG23 THR 14 3HG2 THR 14 7.701 -4.601 2.909 80 H VAL 15 H VAL 15 6.140 -0.450 1.565 81 HA VAL 15 HA VAL 15 7.805 1.977 1.390 82 HB VAL 15 HB VAL 15 4.825 1.783 0.927 83 HG11 VAL 15 1HG1 VAL 15 6.648 4.034 1.419 84 HG12 VAL 15 2HG1 VAL 15 5.568 4.232 0.038 85 HG13 VAL 15 3HG1 VAL 15 4.903 3.915 1.641 86 HG21 VAL 15 1HG2 VAL 15 7.047 2.399 -1.019 87 HG22 VAL 15 2HG2 VAL 15 6.175 0.869 -0.920 88 HG23 VAL 15 3HG2 VAL 15 5.322 2.342 -1.381 89 H ASP 16 H ASP 16 7.732 3.409 3.077 90 HA ASP 16 HA ASP 16 5.948 2.791 5.325 91 HB2 ASP 16 1HB ASP 16 8.157 1.758 5.769 92 HB3 ASP 16 2HB ASP 16 8.911 3.341 5.600 93 H MET 17 H MET 17 4.750 4.546 5.612 94 HA MET 17 HA MET 17 6.065 7.135 5.866 95 HB2 MET 17 1HB MET 17 3.558 7.217 4.301 96 HB3 MET 17 2HB MET 17 5.009 8.200 4.158 97 HG2 MET 17 1HG MET 17 6.142 6.344 3.031 98 HG3 MET 17 2HG MET 17 4.669 5.385 3.151 99 HE1 MET 17 1HE MET 17 2.447 6.293 2.456 100 HE2 MET 17 2HE MET 17 2.412 8.041 2.227 101 HE3 MET 17 3HE MET 17 2.195 6.967 0.845 102 H GLU 18 H GLU 18 4.164 8.824 6.378 103 HA GLU 18 HA GLU 18 2.384 7.541 8.344 104 HB2 GLU 18 1HB GLU 18 4.296 9.787 8.664 105 HB3 GLU 18 2HB GLU 18 2.741 9.955 9.468 106 HG2 GLU 18 1HG GLU 18 3.151 8.259 10.930 107 HG3 GLU 18 2HG GLU 18 4.216 7.405 9.815 108 H LYS 19 H LYS 19 0.677 9.255 9.099 109 HA LYS 19 HA LYS 19 -0.863 9.916 6.798 110 HB2 LYS 19 1HB LYS 19 -1.549 9.322 9.301 111 HB3 LYS 19 2HB LYS 19 -1.532 11.073 9.462 112 HG2 LYS 19 1HG LYS 19 -3.690 10.830 8.851 113 HG3 LYS 19 2HG LYS 19 -2.984 10.879 7.233 114 HD2 LYS 19 1HD LYS 19 -4.174 8.973 6.972 115 HD3 LYS 19 2HD LYS 19 -2.763 8.250 7.748 116 HE2 LYS 19 1HE LYS 19 -3.839 8.203 9.859 117 HE3 LYS 19 2HE LYS 19 -5.149 9.238 9.292 118 HZ1 LYS 19 1HZ LYS 19 -4.627 6.411 8.579 119 HZ2 LYS 19 2HZ LYS 19 -5.695 7.387 7.701 120 HZ3 LYS 19 3HZ LYS 19 -5.996 7.060 9.333 121 H GLY 20 H GLY 20 -1.790 12.089 6.402 122 HA2 GLY 20 1HA GLY 20 -0.016 14.291 7.203 123 HA3 GLY 20 2HA GLY 20 -0.272 13.991 5.490 124 H ALA 21 H ALA 21 -1.842 15.105 4.546 125 HA ALA 21 HA ALA 21 -3.732 16.562 6.229 126 HB1 ALA 21 1HB ALA 21 -2.996 18.123 4.777 127 HB2 ALA 21 2HB ALA 21 -2.598 16.936 3.533 128 HB3 ALA 21 3HB ALA 21 -4.269 17.457 3.752 129 H LYS 22 H LYS 22 -3.862 14.668 3.205 130 HA LYS 22 HA LYS 22 -6.647 13.976 3.862 131 HB2 LYS 22 1HB LYS 22 -5.202 14.102 1.214 132 HB3 LYS 22 2HB LYS 22 -6.800 13.392 1.406 133 HG2 LYS 22 1HG LYS 22 -6.184 16.217 2.216 134 HG3 LYS 22 2HG LYS 22 -6.704 15.782 0.586 135 HD2 LYS 22 1HD LYS 22 -8.788 14.962 1.380 136 HD3 LYS 22 2HD LYS 22 -8.252 15.036 3.060 137 HE2 LYS 22 1HE LYS 22 -8.532 17.448 1.275 138 HE3 LYS 22 2HE LYS 22 -9.797 16.880 2.363 139 HZ1 LYS 22 1HZ LYS 22 -8.617 17.495 4.207 140 HZ2 LYS 22 2HZ LYS 22 -8.124 18.699 3.126 141 HZ3 LYS 22 3HZ LYS 22 -7.113 17.380 3.441 142 H GLY 23 H GLY 23 -4.297 12.649 4.968 143 HA2 GLY 23 1HA GLY 23 -4.046 10.409 5.604 144 HA3 GLY 23 2HA GLY 23 -5.035 9.932 4.232 145 H PHE 24 H PHE 24 -1.830 10.628 5.358 146 HA PHE 24 HA PHE 24 0.237 10.322 4.451 147 HB2 PHE 24 1HB PHE 24 -1.175 8.208 2.813 148 HB3 PHE 24 2HB PHE 24 0.549 8.283 3.165 149 HD1 PHE 24 2HD PHE 24 -2.772 7.557 4.526 150 HD2 PHE 24 1HD PHE 24 1.412 7.623 5.307 151 HE1 PHE 24 2HE PHE 24 -3.132 6.207 6.551 152 HE2 PHE 24 1HE PHE 24 1.058 6.272 7.333 153 HZ PHE 24 HZ PHE 24 -1.216 5.564 7.958 154 H GLY 25 H GLY 25 -1.547 12.258 3.154 155 HA2 GLY 25 1HA GLY 25 -1.880 13.290 1.071 156 HA3 GLY 25 2HA GLY 25 -0.138 13.424 1.262 157 H PHE 26 H PHE 26 -2.254 10.671 0.473 158 HA PHE 26 HA PHE 26 -1.189 10.544 -2.215 159 HB2 PHE 26 1HB PHE 26 0.061 8.631 -2.052 160 HB3 PHE 26 2HB PHE 26 0.332 9.273 -0.435 161 HD1 PHE 26 2HD PHE 26 -2.145 7.133 -2.229 162 HD2 PHE 26 1HD PHE 26 0.107 7.817 1.317 163 HE1 PHE 26 2HE PHE 26 -3.045 5.057 -1.262 164 HE2 PHE 26 1HE PHE 26 -0.789 5.742 2.290 165 HZ PHE 26 HZ PHE 26 -2.368 4.360 1.001 166 H SER 27 H SER 27 -2.576 9.586 -3.611 167 HA SER 27 HA SER 27 -4.963 8.306 -2.447 168 HB2 SER 27 1HB SER 27 -5.287 10.574 -3.556 169 HB3 SER 27 2HB SER 27 -4.889 9.783 -5.081 170 HG SER 27 HG SER 27 -6.797 8.492 -3.569 171 H ILE 28 H ILE 28 -6.053 6.741 -3.873 172 HA ILE 28 HA ILE 28 -4.136 5.336 -5.618 173 HB ILE 28 HB ILE 28 -5.757 3.322 -4.872 174 HG12 ILE 28 1HG1 ILE 28 -5.450 4.944 -2.345 175 HG13 ILE 28 2HG1 ILE 28 -6.931 4.939 -3.297 176 HG21 ILE 28 1HG2 ILE 28 -3.409 4.176 -3.194 177 HG22 ILE 28 2HG2 ILE 28 -3.969 2.537 -3.520 178 HG23 ILE 28 3HG2 ILE 28 -3.250 3.496 -4.813 179 HD11 ILE 28 1HD1 ILE 28 -7.290 3.385 -1.594 180 HD12 ILE 28 2HD1 ILE 28 -6.903 2.411 -3.013 181 HD13 ILE 28 3HD1 ILE 28 -5.681 2.685 -1.772 182 H ARG 29 H ARG 29 -5.309 3.738 -7.101 183 HA ARG 29 HA ARG 29 -7.960 4.633 -7.915 184 HB2 ARG 29 1HB ARG 29 -7.409 5.385 -10.011 185 HB3 ARG 29 2HB ARG 29 -5.977 5.889 -9.125 186 HG2 ARG 29 1HG ARG 29 -4.964 4.904 -10.892 187 HG3 ARG 29 2HG ARG 29 -5.143 3.480 -9.864 188 HD2 ARG 29 1HD ARG 29 -6.810 2.591 -11.150 189 HD3 ARG 29 2HD ARG 29 -7.377 4.169 -11.697 190 HE ARG 29 HE ARG 29 -5.324 2.536 -12.908 191 HH11 ARG 29 2HH1 ARG 29 -6.728 5.710 -12.639 192 HH12 ARG 29 1HH1 ARG 29 -6.108 6.257 -14.161 193 HH21 ARG 29 2HH2 ARG 29 -4.501 3.244 -14.914 194 HH22 ARG 29 1HH2 ARG 29 -4.842 4.852 -15.455 195 H GLY 30 H GLY 30 -8.926 3.202 -9.560 196 HA2 GLY 30 1HA GLY 30 -9.289 1.143 -10.559 197 HA3 GLY 30 2HA GLY 30 -7.662 0.669 -10.093 198 H GLY 31 H GLY 31 -8.779 -1.403 -9.647 199 HA2 GLY 31 1HA GLY 31 -8.838 -2.457 -7.334 200 HA3 GLY 31 2HA GLY 31 -10.178 -1.355 -7.049 201 H ARG 32 H ARG 32 -10.889 -3.776 -6.564 202 HA ARG 32 HA ARG 32 -11.597 -5.453 -8.699 203 HB2 ARG 32 1HB ARG 32 -12.416 -5.187 -5.849 204 HB3 ARG 32 2HB ARG 32 -13.444 -6.145 -6.905 205 HG2 ARG 32 1HG ARG 32 -10.487 -6.603 -6.617 206 HG3 ARG 32 2HG ARG 32 -11.705 -7.427 -5.642 207 HD2 ARG 32 1HD ARG 32 -11.625 -7.473 -8.655 208 HD3 ARG 32 2HD ARG 32 -10.924 -8.722 -7.627 209 HE ARG 32 HE ARG 32 -13.451 -8.644 -6.747 210 HH11 ARG 32 2HH1 ARG 32 -12.122 -8.789 -9.962 211 HH12 ARG 32 1HH1 ARG 32 -13.465 -9.665 -10.618 212 HH21 ARG 32 2HH2 ARG 32 -15.224 -9.798 -7.599 213 HH22 ARG 32 1HH2 ARG 32 -15.230 -10.238 -9.274 214 H GLU 33 H GLU 33 -12.985 -2.525 -7.558 215 HA GLU 33 HA GLU 33 -15.640 -2.903 -8.473 216 HB2 GLU 33 1HB GLU 33 -14.829 -1.137 -6.847 217 HB3 GLU 33 2HB GLU 33 -14.198 -0.264 -8.236 218 HG2 GLU 33 1HG GLU 33 -16.450 0.469 -7.386 219 HG3 GLU 33 2HG GLU 33 -16.347 0.114 -9.110 220 H TYR 34 H TYR 34 -12.688 -1.809 -10.003 221 HA TYR 34 HA TYR 34 -14.166 -1.397 -12.516 222 HB2 TYR 34 1HB TYR 34 -11.349 -0.461 -12.060 223 HB3 TYR 34 2HB TYR 34 -12.546 0.148 -13.198 224 HD1 TYR 34 1HD TYR 34 -14.484 1.491 -12.323 225 HD2 TYR 34 2HD TYR 34 -11.151 0.455 -9.890 226 HE1 TYR 34 1HE TYR 34 -15.106 3.258 -10.730 227 HE2 TYR 34 2HE TYR 34 -11.764 2.219 -8.290 228 HH TYR 34 HH TYR 34 -14.771 3.945 -8.518 229 H LYS 35 H LYS 35 -12.672 -3.786 -11.035 230 HA LYS 35 HA LYS 35 -11.631 -5.705 -11.675 231 HB2 LYS 35 1HB LYS 35 -12.462 -4.758 -14.423 232 HB3 LYS 35 2HB LYS 35 -11.831 -6.360 -14.069 233 HG2 LYS 35 1HG LYS 35 -14.055 -6.812 -14.016 234 HG3 LYS 35 2HG LYS 35 -13.814 -6.369 -12.324 235 HD2 LYS 35 1HD LYS 35 -14.518 -4.060 -12.872 236 HD3 LYS 35 2HD LYS 35 -14.846 -4.581 -14.526 237 HE2 LYS 35 1HE LYS 35 -16.936 -4.805 -13.646 238 HE3 LYS 35 2HE LYS 35 -16.298 -6.405 -13.271 239 HZ1 LYS 35 1HZ LYS 35 -16.774 -4.128 -11.473 240 HZ2 LYS 35 2HZ LYS 35 -15.575 -5.255 -11.080 241 HZ3 LYS 35 3HZ LYS 35 -17.179 -5.758 -11.269 242 H MET 36 H MET 36 -9.898 -3.732 -11.092 243 HA MET 36 HA MET 36 -7.643 -4.401 -12.777 244 HB2 MET 36 1HB MET 36 -6.985 -2.046 -13.133 245 HB3 MET 36 2HB MET 36 -8.492 -2.451 -13.943 246 HG2 MET 36 1HG MET 36 -9.576 -1.509 -11.764 247 HG3 MET 36 2HG MET 36 -8.019 -0.703 -11.581 248 HE1 MET 36 1HE MET 36 -7.124 1.037 -12.813 249 HE2 MET 36 2HE MET 36 -8.007 2.132 -13.877 250 HE3 MET 36 3HE MET 36 -8.459 1.999 -12.177 251 H ASP 37 H ASP 37 -5.586 -3.668 -11.843 252 HA ASP 37 HA ASP 37 -5.509 -4.119 -9.049 253 HB2 ASP 37 1HB ASP 37 -3.246 -2.892 -10.606 254 HB3 ASP 37 2HB ASP 37 -3.167 -3.990 -9.232 255 H LEU 38 H LEU 38 -4.191 -2.583 -7.596 256 HA LEU 38 HA LEU 38 -5.502 0.025 -7.720 257 HB2 LEU 38 1HB LEU 38 -4.036 -1.428 -5.531 258 HB3 LEU 38 2HB LEU 38 -4.586 0.239 -5.377 259 HG LEU 38 HG LEU 38 -6.590 -1.836 -6.104 260 HD11 LEU 38 1HD1 LEU 38 -5.971 -1.401 -3.222 261 HD12 LEU 38 2HD1 LEU 38 -5.041 -2.588 -4.135 262 HD13 LEU 38 3HD1 LEU 38 -6.793 -2.748 -4.010 263 HD21 LEU 38 1HD2 LEU 38 -6.920 0.718 -5.844 264 HD22 LEU 38 2HD2 LEU 38 -6.867 0.382 -4.114 265 HD23 LEU 38 3HD2 LEU 38 -8.099 -0.377 -5.122 266 H TYR 39 H TYR 39 -4.459 1.735 -8.472 267 HA TYR 39 HA TYR 39 -1.518 1.784 -8.289 268 HB2 TYR 39 1HB TYR 39 -3.047 3.219 -10.443 269 HB3 TYR 39 2HB TYR 39 -1.349 2.758 -10.417 270 HD1 TYR 39 1HD TYR 39 -4.788 1.368 -10.633 271 HD2 TYR 39 2HD TYR 39 -0.647 0.736 -11.378 272 HE1 TYR 39 1HE TYR 39 -5.332 -0.675 -11.889 273 HE2 TYR 39 2HE TYR 39 -1.180 -1.308 -12.638 274 HH TYR 39 HH TYR 39 -2.779 -2.652 -13.375 275 H VAL 40 H VAL 40 -0.557 3.932 -8.180 276 HA VAL 40 HA VAL 40 -1.894 5.580 -6.276 277 HB VAL 40 HB VAL 40 0.638 6.153 -7.822 278 HG11 VAL 40 1HG1 VAL 40 -0.534 8.101 -6.728 279 HG12 VAL 40 2HG1 VAL 40 -0.226 7.309 -5.181 280 HG13 VAL 40 3HG1 VAL 40 1.123 7.811 -6.201 281 HG21 VAL 40 1HG2 VAL 40 0.581 5.201 -4.995 282 HG22 VAL 40 2HG2 VAL 40 0.425 4.032 -6.306 283 HG23 VAL 40 3HG2 VAL 40 1.857 5.057 -6.204 284 H LEU 41 H LEU 41 -3.553 6.828 -6.854 285 HA LEU 41 HA LEU 41 -4.034 7.798 -9.450 286 HB2 LEU 41 1HB LEU 41 -5.713 7.491 -7.605 287 HB3 LEU 41 2HB LEU 41 -5.087 8.972 -6.884 288 HG LEU 41 HG LEU 41 -7.168 9.359 -8.110 289 HD11 LEU 41 1HD1 LEU 41 -5.253 10.715 -9.876 290 HD12 LEU 41 2HD1 LEU 41 -4.939 10.891 -8.150 291 HD13 LEU 41 3HD1 LEU 41 -6.496 11.381 -8.818 292 HD21 LEU 41 1HD2 LEU 41 -7.576 8.334 -10.032 293 HD22 LEU 41 2HD2 LEU 41 -5.948 7.654 -10.028 294 HD23 LEU 41 3HD2 LEU 41 -6.250 9.218 -10.789 295 H ARG 42 H ARG 42 -3.038 9.599 -6.533 296 HA ARG 42 HA ARG 42 -1.268 11.255 -8.102 297 HB2 ARG 42 1HB ARG 42 -2.997 12.688 -8.556 298 HB3 ARG 42 2HB ARG 42 -3.898 12.228 -7.118 299 HG2 ARG 42 1HG ARG 42 -1.360 13.777 -6.852 300 HG3 ARG 42 2HG ARG 42 -2.861 14.596 -7.290 301 HD2 ARG 42 1HD ARG 42 -2.870 12.732 -4.968 302 HD3 ARG 42 2HD ARG 42 -2.130 14.320 -4.773 303 HE ARG 42 HE ARG 42 -4.941 13.731 -5.081 304 HH11 ARG 42 2HH1 ARG 42 -2.444 16.151 -5.272 305 HH12 ARG 42 1HH1 ARG 42 -3.537 17.481 -5.078 306 HH21 ARG 42 2HH2 ARG 42 -6.390 15.474 -4.825 307 HH22 ARG 42 1HH2 ARG 42 -5.781 17.095 -4.823 308 H LEU 43 H LEU 43 0.111 12.586 -6.800 309 HA LEU 43 HA LEU 43 0.214 11.708 -3.990 310 HB2 LEU 43 1HB LEU 43 2.297 12.137 -6.053 311 HB3 LEU 43 2HB LEU 43 2.703 12.582 -4.397 312 HG LEU 43 HG LEU 43 1.962 9.854 -5.438 313 HD11 LEU 43 1HD1 LEU 43 4.207 9.325 -4.409 314 HD12 LEU 43 2HD1 LEU 43 4.458 11.066 -4.281 315 HD13 LEU 43 3HD1 LEU 43 4.237 10.322 -5.864 316 HD21 LEU 43 1HD2 LEU 43 2.094 10.920 -2.645 317 HD22 LEU 43 2HD2 LEU 43 2.504 9.238 -2.983 318 HD23 LEU 43 3HD2 LEU 43 0.898 9.851 -3.380 319 H ALA 44 H ALA 44 0.420 13.201 -2.386 320 HA ALA 44 HA ALA 44 -0.236 15.929 -3.052 321 HB1 ALA 44 1HB ALA 44 -0.647 14.261 -0.846 322 HB2 ALA 44 2HB ALA 44 0.413 15.551 -0.276 323 HB3 ALA 44 3HB ALA 44 -1.135 15.947 -1.022 324 H GLU 45 H GLU 45 1.273 17.338 -3.637 325 HA GLU 45 HA GLU 45 4.031 16.987 -3.323 326 HB2 GLU 45 1HB GLU 45 4.249 19.300 -4.060 327 HB3 GLU 45 2HB GLU 45 3.039 18.461 -5.021 328 HG2 GLU 45 1HG GLU 45 1.262 19.515 -3.771 329 HG3 GLU 45 2HG GLU 45 2.436 20.293 -2.711 330 H ASP 46 H ASP 46 1.667 18.080 -1.116 331 HA ASP 46 HA ASP 46 3.767 19.104 0.681 332 HB2 ASP 46 1HB ASP 46 2.293 20.658 1.572 333 HB3 ASP 46 2HB ASP 46 1.798 20.629 -0.118 334 H GLY 47 H GLY 47 2.676 16.314 0.190 335 HA2 GLY 47 1HA GLY 47 1.657 15.754 2.899 336 HA3 GLY 47 2HA GLY 47 1.439 14.709 1.503 337 HA PRO 48 HA PRO 48 5.169 13.462 4.160 338 HB2 PRO 48 1HB PRO 48 4.119 11.196 5.225 339 HB3 PRO 48 2HB PRO 48 3.983 12.777 6.005 340 HG2 PRO 48 1HG PRO 48 1.978 11.310 4.335 341 HG3 PRO 48 2HG PRO 48 1.734 12.210 5.843 342 HD2 PRO 48 1HD PRO 48 1.145 13.251 3.414 343 HD3 PRO 48 2HD PRO 48 1.708 14.250 4.769 344 H ALA 49 H ALA 49 3.022 12.027 1.871 345 HA ALA 49 HA ALA 49 4.522 9.663 1.345 346 HB1 ALA 49 1HB ALA 49 2.684 9.159 0.214 347 HB2 ALA 49 2HB ALA 49 2.073 10.793 0.479 348 HB3 ALA 49 3HB ALA 49 3.038 10.433 -0.953 349 H ILE 50 H ILE 50 3.982 12.429 -0.839 350 HA ILE 50 HA ILE 50 5.918 11.955 -2.682 351 HB ILE 50 HB ILE 50 4.243 13.965 -2.416 352 HG12 ILE 50 1HG1 ILE 50 6.850 14.617 -3.759 353 HG13 ILE 50 2HG1 ILE 50 5.858 13.285 -4.343 354 HG21 ILE 50 1HG2 ILE 50 6.827 15.188 -1.454 355 HG22 ILE 50 2HG2 ILE 50 5.342 16.057 -1.836 356 HG23 ILE 50 3HG2 ILE 50 5.382 14.936 -0.475 357 HD11 ILE 50 1HD1 ILE 50 3.994 15.189 -4.247 358 HD12 ILE 50 2HD1 ILE 50 5.419 16.195 -4.509 359 HD13 ILE 50 3HD1 ILE 50 5.021 14.914 -5.654 360 H ARG 51 H ARG 51 6.386 12.973 0.595 361 HA ARG 51 HA ARG 51 9.098 13.856 0.233 362 HB2 ARG 51 1HB ARG 51 7.449 13.259 2.689 363 HB3 ARG 51 2HB ARG 51 9.119 13.804 2.762 364 HG2 ARG 51 1HG ARG 51 8.587 15.902 1.846 365 HG3 ARG 51 2HG ARG 51 6.994 15.355 1.321 366 HD2 ARG 51 1HD ARG 51 6.454 16.549 3.210 367 HD3 ARG 51 2HD ARG 51 6.626 14.923 3.871 368 HE ARG 51 HE ARG 51 9.030 16.518 3.948 369 HH11 ARG 51 2HH1 ARG 51 6.122 15.580 5.616 370 HH12 ARG 51 1HH1 ARG 51 6.739 15.974 7.186 371 HH21 ARG 51 2HH2 ARG 51 9.854 17.041 6.010 372 HH22 ARG 51 1HH2 ARG 51 8.862 16.806 7.409 373 H ASN 52 H ASN 52 7.484 10.905 1.264 374 HA ASN 52 HA ASN 52 9.671 9.518 2.294 375 HB2 ASN 52 1HB ASN 52 7.844 8.255 2.714 376 HB3 ASN 52 2HB ASN 52 7.000 8.830 1.279 377 HD21 ASN 52 1HD2 ASN 52 6.471 7.211 0.020 378 HD22 ASN 52 2HD2 ASN 52 7.444 5.826 -0.328 379 H GLY 53 H GLY 53 8.290 9.197 -0.987 380 HA2 GLY 53 1HA GLY 53 9.622 9.250 -2.968 381 HA3 GLY 53 2HA GLY 53 11.015 8.781 -2.005 382 H ARG 54 H ARG 54 10.262 6.573 -0.702 383 HA ARG 54 HA ARG 54 10.695 4.467 -2.272 384 HB2 ARG 54 1HB ARG 54 8.832 4.676 0.081 385 HB3 ARG 54 2HB ARG 54 9.120 3.138 -0.721 386 HG2 ARG 54 1HG ARG 54 11.475 4.730 0.136 387 HG3 ARG 54 2HG ARG 54 10.526 3.899 1.371 388 HD2 ARG 54 1HD ARG 54 10.769 1.806 0.014 389 HD3 ARG 54 2HD ARG 54 11.897 2.682 -1.020 390 HE ARG 54 HE ARG 54 12.433 1.586 1.559 391 HH11 ARG 54 2HH1 ARG 54 13.266 4.169 -0.621 392 HH12 ARG 54 1HH1 ARG 54 14.849 4.395 0.045 393 HH21 ARG 54 2HH2 ARG 54 14.515 1.874 2.444 394 HH22 ARG 54 1HH2 ARG 54 15.559 3.089 1.787 395 H MET 55 H MET 55 7.650 6.185 -2.066 396 HA MET 55 HA MET 55 6.619 4.499 -4.252 397 HB2 MET 55 1HB MET 55 4.430 4.625 -3.388 398 HB3 MET 55 2HB MET 55 5.447 4.276 -1.997 399 HG2 MET 55 1HG MET 55 5.265 6.461 -1.175 400 HG3 MET 55 2HG MET 55 4.644 7.074 -2.706 401 HE1 MET 55 1HE MET 55 2.671 6.494 -3.747 402 HE2 MET 55 2HE MET 55 1.233 5.731 -3.069 403 HE3 MET 55 3HE MET 55 1.571 7.429 -2.733 404 H ARG 56 H ARG 56 5.518 5.525 -5.925 405 HA ARG 56 HA ARG 56 5.492 8.461 -5.889 406 HB2 ARG 56 1HB ARG 56 6.940 6.666 -7.759 407 HB3 ARG 56 2HB ARG 56 6.124 8.054 -8.466 408 HG2 ARG 56 1HG ARG 56 8.310 8.773 -8.048 409 HG3 ARG 56 2HG ARG 56 7.346 9.459 -6.739 410 HD2 ARG 56 1HD ARG 56 8.280 8.109 -5.157 411 HD3 ARG 56 2HD ARG 56 8.567 6.793 -6.294 412 HE ARG 56 HE ARG 56 10.353 8.956 -5.654 413 HH11 ARG 56 2HH1 ARG 56 9.485 6.552 -8.018 414 HH12 ARG 56 1HH1 ARG 56 11.056 6.515 -8.749 415 HH21 ARG 56 2HH2 ARG 56 12.425 8.916 -6.607 416 HH22 ARG 56 1HH2 ARG 56 12.728 7.859 -7.945 417 H VAL 57 H VAL 57 4.453 9.083 -8.242 418 HA VAL 57 HA VAL 57 1.773 7.982 -8.082 419 HB VAL 57 HB VAL 57 2.896 10.236 -9.750 420 HG11 VAL 57 1HG1 VAL 57 0.406 10.761 -10.036 421 HG12 VAL 57 2HG1 VAL 57 1.082 9.446 -11.000 422 HG13 VAL 57 3HG1 VAL 57 0.131 9.086 -9.558 423 HG21 VAL 57 1HG2 VAL 57 2.857 10.801 -7.418 424 HG22 VAL 57 2HG2 VAL 57 1.524 11.638 -8.215 425 HG23 VAL 57 3HG2 VAL 57 1.209 10.195 -7.251 426 H GLY 58 H GLY 58 0.667 6.975 -9.760 427 HA2 GLY 58 1HA GLY 58 0.375 5.849 -11.761 428 HA3 GLY 58 2HA GLY 58 1.912 6.501 -12.309 429 H ASP 59 H ASP 59 1.620 4.747 -9.307 430 HA ASP 59 HA ASP 59 3.261 2.606 -10.477 431 HB2 ASP 59 1HB ASP 59 3.883 4.097 -8.350 432 HB3 ASP 59 2HB ASP 59 2.938 2.858 -7.528 433 H GLN 60 H GLN 60 2.936 0.417 -9.472 434 HA GLN 60 HA GLN 60 0.052 -0.092 -9.180 435 HB2 GLN 60 1HB GLN 60 1.362 -1.082 -11.150 436 HB3 GLN 60 2HB GLN 60 2.112 -2.143 -9.965 437 HG2 GLN 60 1HG GLN 60 -0.854 -1.979 -10.046 438 HG3 GLN 60 2HG GLN 60 -0.018 -2.875 -11.313 439 HE21 GLN 60 1HE2 GLN 60 -1.134 -2.900 -8.111 440 HE22 GLN 60 2HE2 GLN 60 -0.495 -4.436 -7.646 441 H ILE 61 H ILE 61 -0.535 -0.443 -7.149 442 HA ILE 61 HA ILE 61 1.370 -1.409 -5.191 443 HB ILE 61 HB ILE 61 -1.544 -0.675 -4.879 444 HG12 ILE 61 1HG1 ILE 61 0.803 0.901 -3.861 445 HG13 ILE 61 2HG1 ILE 61 0.236 1.110 -5.514 446 HG21 ILE 61 1HG2 ILE 61 0.556 -1.511 -2.908 447 HG22 ILE 61 2HG2 ILE 61 -0.821 -0.523 -2.425 448 HG23 ILE 61 3HG2 ILE 61 -1.084 -2.127 -3.108 449 HD11 ILE 61 1HD1 ILE 61 -1.531 1.419 -3.104 450 HD12 ILE 61 2HD1 ILE 61 -0.659 2.752 -3.864 451 HD13 ILE 61 3HD1 ILE 61 -1.886 1.868 -4.772 452 H ILE 62 H ILE 62 1.583 -3.451 -4.556 453 HA ILE 62 HA ILE 62 -0.418 -5.405 -5.458 454 HB ILE 62 HB ILE 62 1.585 -6.982 -4.651 455 HG12 ILE 62 1HG1 ILE 62 2.883 -4.867 -4.012 456 HG13 ILE 62 2HG1 ILE 62 3.731 -6.060 -4.990 457 HG21 ILE 62 1HG2 ILE 62 1.041 -7.436 -6.785 458 HG22 ILE 62 2HG2 ILE 62 0.842 -5.736 -7.204 459 HG23 ILE 62 3HG2 ILE 62 2.454 -6.451 -7.161 460 HD11 ILE 62 1HD1 ILE 62 3.988 -4.642 -6.689 461 HD12 ILE 62 2HD1 ILE 62 2.336 -4.037 -6.559 462 HD13 ILE 62 3HD1 ILE 62 3.596 -3.390 -5.509 463 H GLU 63 H GLU 63 1.057 -4.017 -2.654 464 HA GLU 63 HA GLU 63 -0.621 -5.740 -0.964 465 HB2 GLU 63 1HB GLU 63 1.643 -6.563 -0.727 466 HB3 GLU 63 2HB GLU 63 2.243 -4.936 -0.436 467 HG2 GLU 63 1HG GLU 63 0.736 -4.906 1.605 468 HG3 GLU 63 2HG GLU 63 0.552 -6.642 1.358 469 H ILE 64 H ILE 64 -1.392 -4.782 0.958 470 HA ILE 64 HA ILE 64 -0.872 -1.943 1.370 471 HB ILE 64 HB ILE 64 -3.644 -3.034 0.875 472 HG12 ILE 64 1HG1 ILE 64 -2.107 -0.878 -0.587 473 HG13 ILE 64 2HG1 ILE 64 -2.254 -2.541 -1.144 474 HG21 ILE 64 1HG2 ILE 64 -3.225 -0.144 1.276 475 HG22 ILE 64 2HG2 ILE 64 -4.564 -1.178 1.771 476 HG23 ILE 64 3HG2 ILE 64 -3.072 -1.157 2.712 477 HD11 ILE 64 1HD1 ILE 64 -4.120 -0.329 -1.355 478 HD12 ILE 64 2HD1 ILE 64 -4.025 -1.829 -2.278 479 HD13 ILE 64 3HD1 ILE 64 -4.862 -1.800 -0.726 480 H ASN 65 H ASN 65 -0.165 -2.053 3.415 481 HA ASN 65 HA ASN 65 -0.177 -2.316 5.674 482 HB2 ASN 65 1HB ASN 65 -3.067 -2.398 4.978 483 HB3 ASN 65 2HB ASN 65 -2.614 -2.962 6.583 484 HD21 ASN 65 1HD2 ASN 65 -4.189 -0.677 5.973 485 HD22 ASN 65 2HD2 ASN 65 -3.343 0.708 6.565 486 H GLY 66 H GLY 66 0.382 -4.563 3.917 487 HA2 GLY 66 1HA GLY 66 1.182 -6.686 4.592 488 HA3 GLY 66 2HA GLY 66 0.002 -6.689 5.894 489 H GLU 67 H GLU 67 -1.981 -5.728 3.714 490 HA GLU 67 HA GLU 67 -2.994 -8.348 3.140 491 HB2 GLU 67 1HB GLU 67 -3.933 -5.605 2.285 492 HB3 GLU 67 2HB GLU 67 -4.799 -7.097 1.946 493 HG2 GLU 67 1HG GLU 67 -4.606 -7.392 4.560 494 HG3 GLU 67 2HG GLU 67 -4.461 -5.636 4.505 495 H SER 68 H SER 68 -3.221 -9.350 1.148 496 HA SER 68 HA SER 68 -1.189 -8.663 -0.793 497 HB2 SER 68 1HB SER 68 -3.026 -10.992 -0.369 498 HB3 SER 68 2HB SER 68 -2.265 -10.769 -1.944 499 HG SER 68 HG SER 68 -1.010 -12.081 -0.536 500 H THR 69 H THR 69 -3.676 -7.008 -0.383 501 HA THR 69 HA THR 69 -5.435 -6.119 -1.605 502 HB THR 69 HB THR 69 -4.638 -4.889 -3.518 503 HG1 THR 69 1HG THR 69 -2.274 -5.456 -4.064 504 HG21 THR 69 1HG2 THR 69 -3.874 -3.975 -1.453 505 HG22 THR 69 2HG2 THR 69 -2.512 -3.918 -2.573 506 HG23 THR 69 3HG2 THR 69 -2.581 -5.168 -1.332 507 H ARG 70 H ARG 70 -5.667 -8.871 -1.766 508 HA ARG 70 HA ARG 70 -6.141 -9.460 -4.596 509 HB2 ARG 70 1HB ARG 70 -6.231 -11.753 -4.002 510 HB3 ARG 70 2HB ARG 70 -4.885 -11.072 -3.099 511 HG2 ARG 70 1HG ARG 70 -5.865 -12.277 -1.447 512 HG3 ARG 70 2HG ARG 70 -6.753 -10.764 -1.252 513 HD2 ARG 70 1HD ARG 70 -8.450 -12.335 -1.254 514 HD3 ARG 70 2HD ARG 70 -8.417 -11.815 -2.938 515 HE ARG 70 HE ARG 70 -7.679 -13.906 -3.547 516 HH11 ARG 70 2HH1 ARG 70 -7.506 -13.557 -0.087 517 HH12 ARG 70 1HH1 ARG 70 -7.181 -15.235 0.197 518 HH21 ARG 70 2HH2 ARG 70 -7.251 -16.118 -3.186 519 HH22 ARG 70 1HH2 ARG 70 -7.035 -16.690 -1.566 520 H ASP 71 H ASP 71 -8.108 -9.286 -5.429 521 HA ASP 71 HA ASP 71 -10.362 -9.062 -5.631 522 HB2 ASP 71 1HB ASP 71 -10.273 -10.855 -3.201 523 HB3 ASP 71 2HB ASP 71 -11.763 -10.424 -4.035 524 H MET 72 H MET 72 -9.089 -6.925 -4.441 525 HA MET 72 HA MET 72 -11.003 -6.080 -2.367 526 HB2 MET 72 1HB MET 72 -8.330 -4.784 -2.841 527 HB3 MET 72 2HB MET 72 -9.352 -4.695 -1.413 528 HG2 MET 72 1HG MET 72 -8.895 -7.312 -1.408 529 HG3 MET 72 2HG MET 72 -7.443 -6.790 -2.259 530 HE1 MET 72 1HE MET 72 -6.829 -4.253 -1.453 531 HE2 MET 72 2HE MET 72 -7.520 -3.651 0.054 532 HE3 MET 72 3HE MET 72 -5.867 -4.267 0.025 533 H THR 73 H THR 73 -12.053 -4.134 -2.579 534 HA THR 73 HA THR 73 -12.019 -2.983 -5.265 535 HB THR 73 HB THR 73 -14.098 -1.805 -4.529 536 HG1 THR 73 1HG THR 73 -14.092 -1.722 -2.367 537 HG21 THR 73 1HG2 THR 73 -13.861 -4.788 -4.523 538 HG22 THR 73 2HG2 THR 73 -14.573 -3.724 -5.736 539 HG23 THR 73 3HG2 THR 73 -15.424 -4.030 -4.222 540 H HIS 74 H HIS 74 -11.886 -0.730 -5.626 541 HA HIS 74 HA HIS 74 -9.869 0.665 -4.517 542 HB2 HIS 74 1HB HIS 74 -11.401 1.317 -6.476 543 HB3 HIS 74 2HB HIS 74 -12.411 2.099 -5.263 544 HD1 HIS 74 1HD HIS 74 -11.688 4.231 -6.843 545 HD2 HIS 74 2HD HIS 74 -8.787 2.625 -4.340 546 HE1 HIS 74 1HE HIS 74 -9.920 6.007 -6.637 547 HE2 HIS 74 2HE HIS 74 -8.134 4.980 -5.187 548 H ALA 75 H ALA 75 -13.166 0.515 -3.270 549 HA ALA 75 HA ALA 75 -12.945 2.467 -1.275 550 HB1 ALA 75 1HB ALA 75 -14.880 0.620 -2.119 551 HB2 ALA 75 2HB ALA 75 -14.624 0.314 -0.400 552 HB3 ALA 75 3HB ALA 75 -15.073 1.928 -0.952 553 H ARG 76 H ARG 76 -12.550 -1.069 -1.009 554 HA ARG 76 HA ARG 76 -11.905 -1.282 1.644 555 HB2 ARG 76 1HB ARG 76 -12.146 -3.268 0.353 556 HB3 ARG 76 2HB ARG 76 -10.845 -2.801 -0.734 557 HG2 ARG 76 1HG ARG 76 -10.210 -4.589 0.838 558 HG3 ARG 76 2HG ARG 76 -9.208 -3.144 0.991 559 HD2 ARG 76 1HD ARG 76 -10.041 -2.616 3.048 560 HD3 ARG 76 2HD ARG 76 -11.614 -3.338 2.715 561 HE ARG 76 HE ARG 76 -9.465 -5.242 2.937 562 HH11 ARG 76 2HH1 ARG 76 -11.901 -3.435 4.646 563 HH12 ARG 76 1HH1 ARG 76 -11.972 -4.540 5.979 564 HH21 ARG 76 2HH2 ARG 76 -9.549 -6.704 4.686 565 HH22 ARG 76 1HH2 ARG 76 -10.632 -6.398 6.001 566 H ALA 77 H ALA 77 -9.579 -0.793 -1.015 567 HA ALA 77 HA ALA 77 -7.264 -0.595 0.480 568 HB1 ALA 77 1HB ALA 77 -7.897 0.996 -2.001 569 HB2 ALA 77 2HB ALA 77 -6.295 0.586 -1.386 570 HB3 ALA 77 3HB ALA 77 -7.360 -0.684 -1.988 571 H ILE 78 H ILE 78 -9.568 1.968 -0.364 572 HA ILE 78 HA ILE 78 -8.127 4.069 0.874 573 HB ILE 78 HB ILE 78 -11.103 3.938 0.378 574 HG12 ILE 78 1HG1 ILE 78 -9.363 3.553 -1.578 575 HG13 ILE 78 2HG1 ILE 78 -10.778 4.575 -1.811 576 HG21 ILE 78 1HG2 ILE 78 -10.760 6.451 0.168 577 HG22 ILE 78 2HG2 ILE 78 -10.672 5.764 1.790 578 HG23 ILE 78 3HG2 ILE 78 -9.191 6.187 0.930 579 HD11 ILE 78 1HD1 ILE 78 -9.421 6.553 -1.395 580 HD12 ILE 78 2HD1 ILE 78 -8.004 5.532 -1.148 581 HD13 ILE 78 3HD1 ILE 78 -8.778 5.598 -2.731 582 H GLU 79 H GLU 79 -9.925 1.498 2.154 583 HA GLU 79 HA GLU 79 -10.560 2.908 4.632 584 HB2 GLU 79 1HB GLU 79 -12.371 1.582 4.250 585 HB3 GLU 79 2HB GLU 79 -11.443 0.394 3.345 586 HG2 GLU 79 1HG GLU 79 -10.917 -0.816 5.193 587 HG3 GLU 79 2HG GLU 79 -10.947 0.588 6.259 588 H LEU 80 H LEU 80 -8.418 0.449 3.362 589 HA LEU 80 HA LEU 80 -7.450 -0.494 5.856 590 HB2 LEU 80 1HB LEU 80 -6.273 -0.560 3.085 591 HB3 LEU 80 2HB LEU 80 -5.537 -1.353 4.477 592 HG LEU 80 HG LEU 80 -8.136 -2.030 3.117 593 HD11 LEU 80 1HD1 LEU 80 -6.104 -4.062 3.752 594 HD12 LEU 80 2HD1 LEU 80 -5.635 -2.862 2.548 595 HD13 LEU 80 3HD1 LEU 80 -7.080 -3.841 2.300 596 HD21 LEU 80 1HD2 LEU 80 -7.060 -3.019 5.754 597 HD22 LEU 80 2HD2 LEU 80 -8.366 -3.790 4.855 598 HD23 LEU 80 3HD2 LEU 80 -8.570 -2.151 5.476 599 H ILE 81 H ILE 81 -6.348 2.002 3.607 600 HA ILE 81 HA ILE 81 -3.913 2.632 4.799 601 HB ILE 81 HB ILE 81 -5.803 4.583 3.480 602 HG12 ILE 81 1HG1 ILE 81 -3.547 3.138 2.115 603 HG13 ILE 81 2HG1 ILE 81 -5.149 2.417 2.216 604 HG21 ILE 81 1HG2 ILE 81 -2.817 4.643 3.896 605 HG22 ILE 81 2HG2 ILE 81 -3.727 5.797 2.922 606 HG23 ILE 81 3HG2 ILE 81 -4.011 5.693 4.659 607 HD11 ILE 81 1HD1 ILE 81 -5.132 5.177 1.253 608 HD12 ILE 81 2HD1 ILE 81 -4.288 4.028 0.214 609 HD13 ILE 81 3HD1 ILE 81 -5.979 3.758 0.637 610 H LYS 82 H LYS 82 -7.180 3.598 5.649 611 HA LYS 82 HA LYS 82 -6.169 5.315 7.792 612 HB2 LYS 82 1HB LYS 82 -8.815 5.573 8.042 613 HB3 LYS 82 2HB LYS 82 -7.884 6.505 6.876 614 HG2 LYS 82 1HG LYS 82 -8.463 4.916 5.124 615 HG3 LYS 82 2HG LYS 82 -9.374 3.954 6.290 616 HD2 LYS 82 1HD LYS 82 -11.011 5.234 5.228 617 HD3 LYS 82 2HD LYS 82 -10.699 6.116 6.726 618 HE2 LYS 82 1HE LYS 82 -8.989 7.441 5.315 619 HE3 LYS 82 2HE LYS 82 -9.853 6.781 3.928 620 HZ1 LYS 82 1HZ LYS 82 -11.010 8.447 6.097 621 HZ2 LYS 82 2HZ LYS 82 -11.905 7.741 4.848 622 HZ3 LYS 82 3HZ LYS 82 -10.746 8.921 4.494 623 H SER 83 H SER 83 -7.243 2.154 7.282 624 HA SER 83 HA SER 83 -8.497 1.693 9.806 625 HB2 SER 83 1HB SER 83 -8.977 0.254 7.887 626 HB3 SER 83 2HB SER 83 -7.291 -0.258 7.828 627 HG SER 83 HG SER 83 -8.899 -0.614 10.127 628 H GLY 84 H GLY 84 -5.222 1.386 8.555 629 HA2 GLY 84 1HA GLY 84 -4.170 -0.005 10.809 630 HA3 GLY 84 2HA GLY 84 -3.236 0.837 9.581 631 H GLY 85 H GLY 85 -4.464 3.409 9.971 632 HA2 GLY 85 1HA GLY 85 -4.772 4.769 12.103 633 HA3 GLY 85 2HA GLY 85 -3.218 4.086 12.558 634 H ARG 86 H ARG 86 -1.751 5.651 12.467 635 HA ARG 86 HA ARG 86 -1.926 7.677 10.369 636 HB2 ARG 86 1HB ARG 86 -0.653 7.499 13.037 637 HB3 ARG 86 2HB ARG 86 0.208 8.443 11.828 638 HG2 ARG 86 1HG ARG 86 -1.469 10.019 11.668 639 HG3 ARG 86 2HG ARG 86 -2.702 8.919 12.290 640 HD2 ARG 86 1HD ARG 86 -0.426 9.694 14.053 641 HD3 ARG 86 2HD ARG 86 -1.731 10.850 13.785 642 HE ARG 86 HE ARG 86 -2.616 8.218 14.555 643 HH11 ARG 86 2HH1 ARG 86 -1.596 11.357 15.662 644 HH12 ARG 86 1HH1 ARG 86 -2.395 11.220 17.193 645 HH21 ARG 86 2HH2 ARG 86 -3.672 8.026 16.568 646 HH22 ARG 86 1HH2 ARG 86 -3.575 9.325 17.708 647 H ARG 87 H ARG 87 -0.201 4.831 11.158 648 HA ARG 87 HA ARG 87 1.886 5.474 9.184 649 HB2 ARG 87 1HB ARG 87 1.892 3.321 11.308 650 HB3 ARG 87 2HB ARG 87 3.215 3.698 10.213 651 HG2 ARG 87 1HG ARG 87 3.499 5.865 11.232 652 HG3 ARG 87 2HG ARG 87 2.093 5.594 12.264 653 HD2 ARG 87 1HD ARG 87 4.111 5.192 13.526 654 HD3 ARG 87 2HD ARG 87 3.254 3.671 13.284 655 HE ARG 87 HE ARG 87 4.977 3.645 11.242 656 HH11 ARG 87 2HH1 ARG 87 5.425 4.343 14.624 657 HH12 ARG 87 1HH1 ARG 87 7.059 3.770 14.659 658 HH21 ARG 87 2HH2 ARG 87 7.129 2.888 11.277 659 HH22 ARG 87 1HH2 ARG 87 8.028 2.944 12.755 660 H VAL 88 H VAL 88 1.769 4.524 7.266 661 HA VAL 88 HA VAL 88 0.269 1.995 7.036 662 HB VAL 88 HB VAL 88 -0.949 3.906 6.024 663 HG11 VAL 88 1HG1 VAL 88 -0.117 5.195 4.294 664 HG12 VAL 88 2HG1 VAL 88 1.303 4.999 5.325 665 HG13 VAL 88 3HG1 VAL 88 1.123 4.014 3.872 666 HG21 VAL 88 1HG2 VAL 88 -1.500 2.799 3.972 667 HG22 VAL 88 2HG2 VAL 88 0.052 1.961 3.948 668 HG23 VAL 88 3HG2 VAL 88 -1.145 1.565 5.182 669 H ARG 89 H ARG 89 1.034 0.464 5.553 670 HA ARG 89 HA ARG 89 3.605 1.002 4.264 671 HB2 ARG 89 1HB ARG 89 4.354 0.027 6.284 672 HB3 ARG 89 2HB ARG 89 3.065 -1.169 6.278 673 HG2 ARG 89 1HG ARG 89 4.164 -2.033 4.120 674 HG3 ARG 89 2HG ARG 89 5.562 -1.087 4.634 675 HD2 ARG 89 1HD ARG 89 5.181 -2.330 6.907 676 HD3 ARG 89 2HD ARG 89 4.322 -3.491 5.895 677 HE ARG 89 HE ARG 89 6.693 -3.147 4.616 678 HH11 ARG 89 2HH1 ARG 89 5.796 -3.989 7.873 679 HH12 ARG 89 1HH1 ARG 89 7.207 -4.955 8.151 680 HH21 ARG 89 2HH2 ARG 89 8.554 -4.417 4.970 681 HH22 ARG 89 1HH2 ARG 89 8.776 -5.197 6.499 682 H LEU 90 H LEU 90 3.326 0.525 2.194 683 HA LEU 90 HA LEU 90 1.812 -1.901 1.500 684 HB2 LEU 90 1HB LEU 90 1.359 -0.422 -0.673 685 HB3 LEU 90 2HB LEU 90 0.277 -0.448 0.718 686 HG LEU 90 HG LEU 90 2.410 1.599 0.757 687 HD11 LEU 90 1HD1 LEU 90 1.957 2.489 -1.222 688 HD12 LEU 90 2HD1 LEU 90 0.307 2.778 -0.671 689 HD13 LEU 90 3HD1 LEU 90 0.702 1.287 -1.527 690 HD21 LEU 90 1HD2 LEU 90 -0.353 2.399 1.160 691 HD22 LEU 90 2HD2 LEU 90 1.037 2.548 2.235 692 HD23 LEU 90 3HD2 LEU 90 0.115 1.044 2.187 693 H LEU 91 H LEU 91 2.541 -3.062 -0.288 694 HA LEU 91 HA LEU 91 5.341 -2.650 -0.918 695 HB2 LEU 91 1HB LEU 91 4.240 -4.885 -0.374 696 HB3 LEU 91 2HB LEU 91 3.561 -4.815 -1.998 697 HG LEU 91 HG LEU 91 6.501 -4.878 -1.317 698 HD11 LEU 91 1HD1 LEU 91 6.322 -7.115 -2.497 699 HD12 LEU 91 2HD1 LEU 91 4.578 -6.975 -2.281 700 HD13 LEU 91 3HD1 LEU 91 5.639 -7.021 -0.874 701 HD21 LEU 91 1HD2 LEU 91 6.774 -5.212 -3.756 702 HD22 LEU 91 2HD2 LEU 91 6.135 -3.622 -3.338 703 HD23 LEU 91 3HD2 LEU 91 5.056 -4.870 -3.964 704 H LEU 92 H LEU 92 5.925 -1.392 -2.550 705 HA LEU 92 HA LEU 92 4.253 -1.372 -4.976 706 HB2 LEU 92 1HB LEU 92 4.325 0.738 -3.457 707 HB3 LEU 92 2HB LEU 92 5.920 0.977 -4.169 708 HG LEU 92 HG LEU 92 4.715 0.858 -6.431 709 HD11 LEU 92 1HD1 LEU 92 2.281 1.952 -5.387 710 HD12 LEU 92 2HD1 LEU 92 2.533 0.327 -4.751 711 HD13 LEU 92 3HD1 LEU 92 2.515 0.598 -6.493 712 HD21 LEU 92 1HD2 LEU 92 3.712 3.303 -5.737 713 HD22 LEU 92 2HD2 LEU 92 5.388 2.978 -6.177 714 HD23 LEU 92 3HD2 LEU 92 4.915 3.025 -4.478 715 H LYS 93 H LYS 93 5.363 -1.065 -6.973 716 HA LYS 93 HA LYS 93 8.266 -1.513 -6.870 717 HB2 LYS 93 1HB LYS 93 8.093 -3.147 -8.683 718 HB3 LYS 93 2HB LYS 93 7.183 -3.673 -7.273 719 HG2 LYS 93 1HG LYS 93 5.109 -3.000 -8.313 720 HG3 LYS 93 2HG LYS 93 5.987 -2.353 -9.701 721 HD2 LYS 93 1HD LYS 93 6.949 -4.765 -9.876 722 HD3 LYS 93 2HD LYS 93 5.551 -5.200 -8.890 723 HE2 LYS 93 1HE LYS 93 4.976 -5.486 -11.201 724 HE3 LYS 93 2HE LYS 93 4.095 -4.095 -10.573 725 HZ1 LYS 93 1HZ LYS 93 5.126 -3.774 -12.805 726 HZ2 LYS 93 2HZ LYS 93 6.645 -3.865 -12.067 727 HZ3 LYS 93 3HZ LYS 93 5.578 -2.620 -11.653 728 H ARG 94 H ARG 94 9.386 -0.181 -8.141 729 HA ARG 94 HA ARG 94 7.979 1.698 -9.816 730 HB2 ARG 94 1HB ARG 94 10.112 2.038 -8.295 731 HB3 ARG 94 2HB ARG 94 10.960 1.527 -9.748 732 HG2 ARG 94 1HG ARG 94 8.926 3.705 -9.904 733 HG3 ARG 94 2HG ARG 94 10.550 4.048 -9.306 734 HD2 ARG 94 1HD ARG 94 11.380 2.893 -11.429 735 HD3 ARG 94 2HD ARG 94 9.722 3.038 -12.010 736 HE ARG 94 HE ARG 94 11.669 5.122 -11.829 737 HH11 ARG 94 2HH1 ARG 94 8.259 4.431 -11.721 738 HH12 ARG 94 1HH1 ARG 94 7.789 6.021 -12.226 739 HH21 ARG 94 2HH2 ARG 94 11.063 7.218 -12.494 740 HH22 ARG 94 1HH2 ARG 94 9.384 7.604 -12.666 741 H GLY 95 H GLY 95 7.806 1.680 -11.980 742 HA2 GLY 95 1HA GLY 95 8.064 -0.543 -13.532 743 HA3 GLY 95 2HA GLY 95 8.159 1.087 -14.181 744 H THR 96 H THR 96 10.450 2.110 -13.568 745 HA THR 96 HA THR 96 12.587 2.141 -14.424 746 HB THR 96 HB THR 96 12.792 1.265 -12.070 747 HG1 THR 96 1HG THR 96 14.993 0.443 -12.516 748 HG21 THR 96 1HG2 THR 96 11.783 -0.928 -12.395 749 HG22 THR 96 2HG2 THR 96 13.438 -1.099 -11.809 750 HG23 THR 96 3HG2 THR 96 13.072 -1.375 -13.511 751 H GLY 97 H GLY 97 10.619 0.499 -15.972 752 HA2 GLY 97 1HA GLY 97 12.162 -1.723 -16.998 753 HA3 GLY 97 2HA GLY 97 10.588 -1.191 -17.570 754 H SER 98 H SER 98 13.602 -1.644 -18.581 755 HA SER 98 HA SER 98 14.871 -0.891 -20.312 756 HB2 SER 98 1HB SER 98 12.154 0.152 -21.102 757 HB3 SER 98 2HB SER 98 13.573 0.378 -22.124 758 HG SER 98 HG SER 98 13.312 -2.192 -21.265 759 H GLY 99 H GLY 99 15.005 0.624 -17.960 760 HA2 GLY 99 1HA GLY 99 15.588 2.699 -17.138 761 HA3 GLY 99 2HA GLY 99 16.459 2.822 -18.659 762 HA PRO 100 HA PRO 100 12.133 4.994 -19.160 763 HB2 PRO 100 1HB PRO 100 10.984 5.764 -16.825 764 HB3 PRO 100 2HB PRO 100 10.647 4.209 -17.594 765 HG2 PRO 100 1HG PRO 100 12.499 4.839 -15.329 766 HG3 PRO 100 2HG PRO 100 11.374 3.480 -15.509 767 HD2 PRO 100 1HD PRO 100 14.031 3.244 -15.977 768 HD3 PRO 100 2HD PRO 100 12.817 2.302 -16.867 769 H SER 101 H SER 101 14.887 5.714 -17.486 770 HA SER 101 HA SER 101 14.339 8.502 -16.952 771 HB2 SER 101 1HB SER 101 16.605 8.617 -16.140 772 HB3 SER 101 2HB SER 101 15.895 7.115 -15.548 773 HG SER 101 HG SER 101 17.466 6.129 -16.509 774 H SER 102 H SER 102 13.716 8.243 -19.498 775 HA SER 102 HA SER 102 16.038 9.281 -20.989 776 HB2 SER 102 1HB SER 102 15.216 7.145 -21.890 777 HB3 SER 102 2HB SER 102 13.605 7.839 -22.074 778 HG SER 102 HG SER 102 14.340 9.143 -23.673 779 H GLY 103 H GLY 103 15.823 11.450 -20.723 780 HA2 GLY 103 1HA GLY 103 13.289 12.634 -21.677 781 HA3 GLY 103 2HA GLY 103 14.163 13.290 -20.301 Start of MODEL 19 1 H1 GLY 1 H GLY 1 28.803 -16.963 -17.347 2 HA2 GLY 1 1HA GLY 1 27.539 -17.088 -19.375 3 HA3 GLY 1 2HA GLY 1 27.123 -18.539 -18.476 4 H SER 2 H SER 2 25.025 -18.936 -18.422 5 HA SER 2 HA SER 2 23.097 -16.951 -19.139 6 HB2 SER 2 1HB SER 2 22.869 -19.813 -18.208 7 HB3 SER 2 2HB SER 2 21.453 -18.816 -18.542 8 HG SER 2 HG SER 2 23.244 -19.983 -20.279 9 H SER 3 H SER 3 22.273 -15.475 -17.831 10 HA SER 3 HA SER 3 21.240 -16.086 -15.259 11 HB2 SER 3 1HB SER 3 23.946 -14.837 -15.441 12 HB3 SER 3 2HB SER 3 22.848 -14.270 -14.183 13 HG SER 3 HG SER 3 22.751 -16.910 -14.182 14 H GLY 4 H GLY 4 19.429 -14.937 -15.361 15 HA2 GLY 4 1HA GLY 4 18.962 -12.371 -15.028 16 HA3 GLY 4 2HA GLY 4 19.439 -12.344 -16.719 17 H SER 5 H SER 5 16.923 -12.967 -14.489 18 HA SER 5 HA SER 5 15.220 -14.129 -16.577 19 HB2 SER 5 1HB SER 5 13.741 -14.831 -14.826 20 HB3 SER 5 2HB SER 5 15.378 -15.231 -14.308 21 HG SER 5 HG SER 5 15.134 -13.940 -12.676 22 H SER 6 H SER 6 12.794 -13.388 -16.197 23 HA SER 6 HA SER 6 12.385 -10.666 -15.462 24 HB2 SER 6 1HB SER 6 12.788 -11.345 -18.359 25 HB3 SER 6 2HB SER 6 11.692 -10.042 -17.900 26 HG SER 6 HG SER 6 14.474 -10.242 -17.535 27 H GLY 7 H GLY 7 10.263 -10.284 -15.102 28 HA2 GLY 7 1HA GLY 7 8.260 -11.972 -16.403 29 HA3 GLY 7 2HA GLY 7 8.366 -12.053 -14.650 30 H GLN 8 H GLN 8 6.299 -11.237 -14.324 31 HA GLN 8 HA GLN 8 5.399 -8.807 -15.505 32 HB2 GLN 8 1HB GLN 8 4.394 -10.362 -13.118 33 HB3 GLN 8 2HB GLN 8 3.574 -8.962 -13.797 34 HG2 GLN 8 1HG GLN 8 2.435 -10.650 -14.818 35 HG3 GLN 8 2HG GLN 8 3.696 -10.347 -16.013 36 HE21 GLN 8 1HE2 GLN 8 2.303 -12.600 -13.874 37 HE22 GLN 8 2HE2 GLN 8 3.388 -13.910 -14.173 38 H ASP 9 H ASP 9 6.734 -9.654 -12.334 39 HA ASP 9 HA ASP 9 6.735 -6.846 -11.543 40 HB2 ASP 9 1HB ASP 9 7.440 -7.664 -9.347 41 HB3 ASP 9 2HB ASP 9 6.007 -8.526 -9.901 42 H PHE 10 H PHE 10 8.582 -5.666 -11.095 43 HA PHE 10 HA PHE 10 11.078 -6.807 -12.164 44 HB2 PHE 10 1HB PHE 10 11.588 -4.184 -12.276 45 HB3 PHE 10 2HB PHE 10 10.772 -5.040 -13.580 46 HD1 PHE 10 1HD PHE 10 10.129 -3.040 -10.520 47 HD2 PHE 10 2HD PHE 10 8.662 -4.373 -14.286 48 HE1 PHE 10 1HE PHE 10 8.205 -1.521 -10.304 49 HE2 PHE 10 2HE PHE 10 6.736 -2.856 -14.077 50 HZ PHE 10 HZ PHE 10 6.506 -1.427 -12.084 51 H ASP 11 H ASP 11 9.602 -5.044 -9.532 52 HA ASP 11 HA ASP 11 11.770 -5.753 -7.779 53 HB2 ASP 11 1HB ASP 11 12.379 -3.533 -9.012 54 HB3 ASP 11 2HB ASP 11 11.196 -2.811 -7.925 55 H TYR 12 H TYR 12 10.630 -6.577 -6.156 56 HA TYR 12 HA TYR 12 8.096 -5.341 -5.386 57 HB2 TYR 12 1HB TYR 12 9.351 -8.018 -4.959 58 HB3 TYR 12 2HB TYR 12 8.152 -7.458 -3.798 59 HD1 TYR 12 1HD TYR 12 6.225 -6.054 -5.488 60 HD2 TYR 12 2HD TYR 12 8.319 -9.689 -6.198 61 HE1 TYR 12 1HE TYR 12 4.422 -6.793 -6.989 62 HE2 TYR 12 2HE TYR 12 6.523 -10.437 -7.702 63 HH TYR 12 HH TYR 12 3.529 -8.670 -8.010 64 H PHE 13 H PHE 13 8.780 -3.513 -4.281 65 HA PHE 13 HA PHE 13 10.278 -4.010 -1.794 66 HB2 PHE 13 1HB PHE 13 11.188 -1.836 -1.911 67 HB3 PHE 13 2HB PHE 13 11.288 -2.451 -3.557 68 HD1 PHE 13 2HD PHE 13 9.574 -0.109 -1.320 69 HD2 PHE 13 1HD PHE 13 9.976 -1.499 -5.323 70 HE1 PHE 13 2HE PHE 13 8.335 1.858 -2.124 71 HE2 PHE 13 1HE PHE 13 8.739 0.468 -6.133 72 HZ PHE 13 HZ PHE 13 7.915 2.149 -4.533 73 H THR 14 H THR 14 9.636 -2.823 0.092 74 HA THR 14 HA THR 14 6.745 -2.350 0.151 75 HB THR 14 HB THR 14 7.002 -2.456 2.630 76 HG1 THR 14 1HG THR 14 9.232 -3.601 3.042 77 HG21 THR 14 1HG2 THR 14 8.267 -4.974 1.884 78 HG22 THR 14 2HG2 THR 14 6.953 -4.519 0.800 79 HG23 THR 14 3HG2 THR 14 6.657 -4.668 2.532 80 H VAL 15 H VAL 15 5.880 -0.532 1.304 81 HA VAL 15 HA VAL 15 7.687 1.796 1.274 82 HB VAL 15 HB VAL 15 4.694 1.743 0.858 83 HG11 VAL 15 1HG1 VAL 15 4.946 4.126 0.317 84 HG12 VAL 15 2HG1 VAL 15 5.405 3.775 1.985 85 HG13 VAL 15 3HG1 VAL 15 6.650 4.038 0.764 86 HG21 VAL 15 1HG2 VAL 15 5.058 2.076 -1.415 87 HG22 VAL 15 2HG2 VAL 15 6.733 2.574 -1.175 88 HG23 VAL 15 3HG2 VAL 15 6.281 0.880 -0.986 89 H ASP 16 H ASP 16 7.663 3.229 2.978 90 HA ASP 16 HA ASP 16 5.924 2.605 5.258 91 HB2 ASP 16 1HB ASP 16 8.104 1.509 5.645 92 HB3 ASP 16 2HB ASP 16 8.908 3.066 5.460 93 H MET 17 H MET 17 4.786 4.380 5.642 94 HA MET 17 HA MET 17 6.159 6.927 5.926 95 HB2 MET 17 1HB MET 17 3.656 7.043 4.328 96 HB3 MET 17 2HB MET 17 5.067 8.091 4.283 97 HG2 MET 17 1HG MET 17 6.314 6.339 3.104 98 HG3 MET 17 2HG MET 17 4.874 5.323 3.119 99 HE1 MET 17 1HE MET 17 2.618 6.461 2.573 100 HE2 MET 17 2HE MET 17 2.677 8.199 2.276 101 HE3 MET 17 3HE MET 17 2.377 7.085 0.941 102 H GLU 18 H GLU 18 4.418 8.655 6.586 103 HA GLU 18 HA GLU 18 2.565 7.370 8.484 104 HB2 GLU 18 1HB GLU 18 4.546 9.544 8.853 105 HB3 GLU 18 2HB GLU 18 2.999 9.750 9.662 106 HG2 GLU 18 1HG GLU 18 3.354 8.022 11.094 107 HG3 GLU 18 2HG GLU 18 4.368 7.139 9.955 108 H LYS 19 H LYS 19 0.904 9.098 9.290 109 HA LYS 19 HA LYS 19 -0.445 10.065 6.910 110 HB2 LYS 19 1HB LYS 19 -1.555 8.797 8.841 111 HB3 LYS 19 2HB LYS 19 -1.437 10.301 9.746 112 HG2 LYS 19 1HG LYS 19 -2.912 11.414 8.304 113 HG3 LYS 19 2HG LYS 19 -2.773 10.166 7.064 114 HD2 LYS 19 1HD LYS 19 -3.854 9.493 9.773 115 HD3 LYS 19 2HD LYS 19 -4.893 10.247 8.562 116 HE2 LYS 19 1HE LYS 19 -3.998 8.364 7.010 117 HE3 LYS 19 2HE LYS 19 -3.567 7.565 8.521 118 HZ1 LYS 19 1HZ LYS 19 -5.734 7.263 9.090 119 HZ2 LYS 19 2HZ LYS 19 -5.897 7.207 7.408 120 HZ3 LYS 19 3HZ LYS 19 -6.282 8.624 8.248 121 H GLY 20 H GLY 20 -1.211 12.213 6.649 122 HA2 GLY 20 1HA GLY 20 0.481 14.193 8.032 123 HA3 GLY 20 2HA GLY 20 -0.197 14.395 6.423 124 H ALA 21 H ALA 21 -1.817 15.784 6.322 125 HA ALA 21 HA ALA 21 -3.257 16.494 8.752 126 HB1 ALA 21 1HB ALA 21 -4.212 17.954 6.514 127 HB2 ALA 21 2HB ALA 21 -3.230 18.525 7.863 128 HB3 ALA 21 3HB ALA 21 -2.452 17.886 6.415 129 H LYS 22 H LYS 22 -4.126 15.668 5.389 130 HA LYS 22 HA LYS 22 -6.672 14.596 6.416 131 HB2 LYS 22 1HB LYS 22 -6.524 16.623 4.714 132 HB3 LYS 22 2HB LYS 22 -6.337 15.325 3.541 133 HG2 LYS 22 1HG LYS 22 -8.476 14.615 3.776 134 HG3 LYS 22 2HG LYS 22 -8.563 15.081 5.476 135 HD2 LYS 22 1HD LYS 22 -8.315 17.248 3.460 136 HD3 LYS 22 2HD LYS 22 -9.864 16.408 3.576 137 HE2 LYS 22 1HE LYS 22 -10.066 16.973 5.895 138 HE3 LYS 22 2HE LYS 22 -8.427 17.621 5.931 139 HZ1 LYS 22 1HZ LYS 22 -9.048 19.473 4.706 140 HZ2 LYS 22 2HZ LYS 22 -10.365 19.252 5.744 141 HZ3 LYS 22 3HZ LYS 22 -10.469 18.758 4.129 142 H GLY 23 H GLY 23 -4.085 13.206 6.196 143 HA2 GLY 23 1HA GLY 23 -4.412 10.716 5.770 144 HA3 GLY 23 2HA GLY 23 -4.752 11.217 4.120 145 H PHE 24 H PHE 24 -2.938 9.615 3.806 146 HA PHE 24 HA PHE 24 -0.287 10.534 4.476 147 HB2 PHE 24 1HB PHE 24 -1.248 8.225 2.777 148 HB3 PHE 24 2HB PHE 24 0.444 8.547 3.145 149 HD1 PHE 24 2HD PHE 24 -2.831 7.878 4.769 150 HD2 PHE 24 1HD PHE 24 1.410 7.659 5.054 151 HE1 PHE 24 2HE PHE 24 -3.041 6.580 6.848 152 HE2 PHE 24 1HE PHE 24 1.207 6.360 7.134 153 HZ PHE 24 HZ PHE 24 -1.021 5.820 8.034 154 H GLY 25 H GLY 25 -1.710 12.429 2.967 155 HA2 GLY 25 1HA GLY 25 -1.722 13.561 0.928 156 HA3 GLY 25 2HA GLY 25 0.008 13.479 1.226 157 H PHE 26 H PHE 26 -2.178 10.822 0.404 158 HA PHE 26 HA PHE 26 -1.178 10.707 -2.311 159 HB2 PHE 26 1HB PHE 26 0.041 8.757 -2.186 160 HB3 PHE 26 2HB PHE 26 0.412 9.453 -0.612 161 HD1 PHE 26 2HD PHE 26 -2.151 7.248 -2.193 162 HD2 PHE 26 1HD PHE 26 0.256 8.083 1.217 163 HE1 PHE 26 2HE PHE 26 -3.002 5.216 -1.099 164 HE2 PHE 26 1HE PHE 26 -0.591 6.051 2.316 165 HZ PHE 26 HZ PHE 26 -2.223 4.615 1.158 166 H SER 27 H SER 27 -2.548 9.657 -3.685 167 HA SER 27 HA SER 27 -4.949 8.458 -2.467 168 HB2 SER 27 1HB SER 27 -5.044 10.706 -3.856 169 HB3 SER 27 2HB SER 27 -5.014 9.601 -5.230 170 HG SER 27 HG SER 27 -6.764 8.619 -3.547 171 H ILE 28 H ILE 28 -6.098 6.916 -3.962 172 HA ILE 28 HA ILE 28 -4.182 5.383 -5.589 173 HB ILE 28 HB ILE 28 -5.809 3.414 -4.712 174 HG12 ILE 28 1HG1 ILE 28 -5.349 5.023 -2.216 175 HG13 ILE 28 2HG1 ILE 28 -6.822 5.234 -3.156 176 HG21 ILE 28 1HG2 ILE 28 -3.276 3.625 -4.740 177 HG22 ILE 28 2HG2 ILE 28 -3.420 4.272 -3.107 178 HG23 ILE 28 3HG2 ILE 28 -3.977 2.636 -3.459 179 HD11 ILE 28 1HD1 ILE 28 -7.383 3.694 -1.502 180 HD12 ILE 28 2HD1 ILE 28 -7.106 2.709 -2.939 181 HD13 ILE 28 3HD1 ILE 28 -5.870 2.807 -1.685 182 H ARG 29 H ARG 29 -5.376 3.717 -6.976 183 HA ARG 29 HA ARG 29 -8.060 4.500 -7.758 184 HB2 ARG 29 1HB ARG 29 -7.573 5.101 -9.981 185 HB3 ARG 29 2HB ARG 29 -6.383 5.963 -9.014 186 HG2 ARG 29 1HG ARG 29 -4.642 4.616 -9.714 187 HG3 ARG 29 2HG ARG 29 -5.717 3.294 -10.175 188 HD2 ARG 29 1HD ARG 29 -6.331 4.315 -12.162 189 HD3 ARG 29 2HD ARG 29 -5.882 5.921 -11.591 190 HE ARG 29 HE ARG 29 -3.655 4.122 -11.833 191 HH11 ARG 29 2HH1 ARG 29 -5.699 6.387 -13.511 192 HH12 ARG 29 1HH1 ARG 29 -4.519 6.750 -14.727 193 HH21 ARG 29 2HH2 ARG 29 -2.094 4.591 -13.429 194 HH22 ARG 29 1HH2 ARG 29 -2.470 5.727 -14.680 195 H GLY 30 H GLY 30 -8.837 3.069 -9.615 196 HA2 GLY 30 1HA GLY 30 -9.128 0.985 -10.558 197 HA3 GLY 30 2HA GLY 30 -7.484 0.593 -10.077 198 H GLY 31 H GLY 31 -8.440 -1.537 -9.630 199 HA2 GLY 31 1HA GLY 31 -8.488 -2.649 -7.375 200 HA3 GLY 31 2HA GLY 31 -9.833 -1.574 -7.024 201 H ARG 32 H ARG 32 -10.116 -4.290 -6.742 202 HA ARG 32 HA ARG 32 -10.944 -5.862 -8.791 203 HB2 ARG 32 1HB ARG 32 -11.890 -5.551 -5.980 204 HB3 ARG 32 2HB ARG 32 -12.827 -6.573 -7.061 205 HG2 ARG 32 1HG ARG 32 -9.874 -6.912 -6.614 206 HG3 ARG 32 2HG ARG 32 -11.108 -7.755 -5.677 207 HD2 ARG 32 1HD ARG 32 -10.955 -7.868 -8.681 208 HD3 ARG 32 2HD ARG 32 -10.140 -9.027 -7.631 209 HE ARG 32 HE ARG 32 -12.652 -9.179 -6.740 210 HH11 ARG 32 2HH1 ARG 32 -11.359 -9.209 -9.972 211 HH12 ARG 32 1HH1 ARG 32 -12.626 -10.204 -10.609 212 HH21 ARG 32 2HH2 ARG 32 -14.325 -10.490 -7.567 213 HH22 ARG 32 1HH2 ARG 32 -14.313 -10.932 -9.241 214 H GLU 33 H GLU 33 -12.664 -3.126 -7.423 215 HA GLU 33 HA GLU 33 -15.186 -3.502 -8.510 216 HB2 GLU 33 1HB GLU 33 -14.547 -1.706 -6.904 217 HB3 GLU 33 2HB GLU 33 -13.749 -0.859 -8.221 218 HG2 GLU 33 1HG GLU 33 -16.018 -0.010 -7.667 219 HG3 GLU 33 2HG GLU 33 -15.810 -0.499 -9.348 220 H TYR 34 H TYR 34 -12.296 -2.101 -9.984 221 HA TYR 34 HA TYR 34 -13.730 -1.915 -12.543 222 HB2 TYR 34 1HB TYR 34 -11.009 -0.744 -12.053 223 HB3 TYR 34 2HB TYR 34 -12.236 -0.247 -13.213 224 HD1 TYR 34 1HD TYR 34 -14.235 1.011 -12.429 225 HD2 TYR 34 2HD TYR 34 -10.971 0.140 -9.843 226 HE1 TYR 34 1HE TYR 34 -15.020 2.740 -10.866 227 HE2 TYR 34 2HE TYR 34 -11.748 1.865 -8.272 228 HH TYR 34 HH TYR 34 -13.517 3.193 -7.722 229 H LYS 35 H LYS 35 -12.433 -4.311 -11.181 230 HA LYS 35 HA LYS 35 -11.128 -6.106 -11.715 231 HB2 LYS 35 1HB LYS 35 -11.951 -5.206 -14.481 232 HB3 LYS 35 2HB LYS 35 -11.218 -6.763 -14.120 233 HG2 LYS 35 1HG LYS 35 -13.775 -5.846 -12.839 234 HG3 LYS 35 2HG LYS 35 -13.731 -6.723 -14.370 235 HD2 LYS 35 1HD LYS 35 -12.246 -8.404 -13.020 236 HD3 LYS 35 2HD LYS 35 -13.024 -7.656 -11.623 237 HE2 LYS 35 1HE LYS 35 -14.436 -9.428 -12.084 238 HE3 LYS 35 2HE LYS 35 -15.220 -8.095 -12.931 239 HZ1 LYS 35 1HZ LYS 35 -14.387 -8.851 -14.989 240 HZ2 LYS 35 2HZ LYS 35 -15.008 -10.219 -14.213 241 HZ3 LYS 35 3HZ LYS 35 -13.337 -9.959 -14.259 242 H MET 36 H MET 36 -9.515 -4.071 -11.072 243 HA MET 36 HA MET 36 -7.186 -4.596 -12.701 244 HB2 MET 36 1HB MET 36 -6.651 -2.215 -13.053 245 HB3 MET 36 2HB MET 36 -8.125 -2.691 -13.885 246 HG2 MET 36 1HG MET 36 -9.332 -1.792 -11.796 247 HG3 MET 36 2HG MET 36 -7.803 -0.984 -11.453 248 HE1 MET 36 1HE MET 36 -7.410 1.792 -13.609 249 HE2 MET 36 2HE MET 36 -8.426 1.939 -12.175 250 HE3 MET 36 3HE MET 36 -7.039 0.848 -12.166 251 H ASP 37 H ASP 37 -5.199 -3.782 -11.708 252 HA ASP 37 HA ASP 37 -5.180 -4.217 -8.912 253 HB2 ASP 37 1HB ASP 37 -2.924 -2.870 -10.367 254 HB3 ASP 37 2HB ASP 37 -2.853 -4.021 -9.035 255 H LEU 38 H LEU 38 -3.985 -2.618 -7.425 256 HA LEU 38 HA LEU 38 -5.402 -0.068 -7.610 257 HB2 LEU 38 1HB LEU 38 -3.920 -1.371 -5.333 258 HB3 LEU 38 2HB LEU 38 -4.714 0.200 -5.240 259 HG LEU 38 HG LEU 38 -6.372 -2.120 -6.064 260 HD11 LEU 38 1HD1 LEU 38 -4.776 -2.571 -3.956 261 HD12 LEU 38 2HD1 LEU 38 -6.421 -3.193 -4.079 262 HD13 LEU 38 3HD1 LEU 38 -6.100 -1.728 -3.152 263 HD21 LEU 38 1HD2 LEU 38 -6.754 0.358 -4.399 264 HD22 LEU 38 2HD2 LEU 38 -7.979 -0.901 -4.556 265 HD23 LEU 38 3HD2 LEU 38 -7.444 -0.007 -5.980 266 H TYR 39 H TYR 39 -4.382 1.639 -8.398 267 HA TYR 39 HA TYR 39 -1.459 1.814 -8.061 268 HB2 TYR 39 1HB TYR 39 -2.929 3.221 -10.268 269 HB3 TYR 39 2HB TYR 39 -1.232 2.764 -10.184 270 HD1 TYR 39 1HD TYR 39 -4.659 1.425 -10.620 271 HD2 TYR 39 2HD TYR 39 -0.489 0.686 -11.029 272 HE1 TYR 39 1HE TYR 39 -5.152 -0.615 -11.901 273 HE2 TYR 39 2HE TYR 39 -0.971 -1.356 -12.312 274 HH TYR 39 HH TYR 39 -3.350 -3.009 -12.312 275 H VAL 40 H VAL 40 -0.632 4.095 -8.131 276 HA VAL 40 HA VAL 40 -2.120 5.677 -6.231 277 HB VAL 40 HB VAL 40 0.538 6.199 -7.570 278 HG11 VAL 40 1HG1 VAL 40 0.088 8.316 -6.926 279 HG12 VAL 40 2HG1 VAL 40 -1.129 7.815 -5.749 280 HG13 VAL 40 3HG1 VAL 40 0.586 7.711 -5.346 281 HG21 VAL 40 1HG2 VAL 40 1.566 5.382 -5.624 282 HG22 VAL 40 2HG2 VAL 40 0.060 5.421 -4.707 283 HG23 VAL 40 3HG2 VAL 40 0.288 4.219 -5.977 284 H LEU 41 H LEU 41 -3.716 6.949 -6.904 285 HA LEU 41 HA LEU 41 -4.082 7.840 -9.542 286 HB2 LEU 41 1HB LEU 41 -5.802 7.626 -7.683 287 HB3 LEU 41 2HB LEU 41 -5.213 9.182 -7.101 288 HG LEU 41 HG LEU 41 -7.279 9.380 -8.419 289 HD11 LEU 41 1HD1 LEU 41 -6.650 11.311 -9.493 290 HD12 LEU 41 2HD1 LEU 41 -5.137 10.622 -10.081 291 HD13 LEU 41 3HD1 LEU 41 -5.296 11.080 -8.385 292 HD21 LEU 41 1HD2 LEU 41 -6.203 9.050 -11.036 293 HD22 LEU 41 2HD2 LEU 41 -7.579 8.235 -10.294 294 HD23 LEU 41 3HD2 LEU 41 -5.959 7.557 -10.129 295 H ARG 42 H ARG 42 -3.105 9.693 -6.653 296 HA ARG 42 HA ARG 42 -1.305 11.297 -8.244 297 HB2 ARG 42 1HB ARG 42 -3.126 12.666 -8.712 298 HB3 ARG 42 2HB ARG 42 -3.873 12.379 -7.146 299 HG2 ARG 42 1HG ARG 42 -1.266 13.798 -7.208 300 HG3 ARG 42 2HG ARG 42 -2.707 14.668 -7.736 301 HD2 ARG 42 1HD ARG 42 -2.589 13.176 -5.130 302 HD3 ARG 42 2HD ARG 42 -2.075 14.856 -5.278 303 HE ARG 42 HE ARG 42 -4.736 14.283 -6.260 304 HH11 ARG 42 2HH1 ARG 42 -2.777 15.316 -3.573 305 HH12 ARG 42 1HH1 ARG 42 -4.082 16.117 -2.762 306 HH21 ARG 42 2HH2 ARG 42 -6.461 15.335 -5.202 307 HH22 ARG 42 1HH2 ARG 42 -6.177 16.126 -3.689 308 H LEU 43 H LEU 43 0.142 12.551 -6.978 309 HA LEU 43 HA LEU 43 0.226 11.720 -4.155 310 HB2 LEU 43 1HB LEU 43 2.275 12.036 -6.246 311 HB3 LEU 43 2HB LEU 43 2.725 12.630 -4.649 312 HG LEU 43 HG LEU 43 1.977 9.816 -5.421 313 HD11 LEU 43 1HD1 LEU 43 4.254 9.403 -4.392 314 HD12 LEU 43 2HD1 LEU 43 4.492 11.149 -4.457 315 HD13 LEU 43 3HD1 LEU 43 4.234 10.239 -5.945 316 HD21 LEU 43 1HD2 LEU 43 2.242 11.099 -2.721 317 HD22 LEU 43 2HD2 LEU 43 2.531 9.376 -2.962 318 HD23 LEU 43 3HD2 LEU 43 0.950 10.066 -3.334 319 H ALA 44 H ALA 44 0.491 13.218 -2.555 320 HA ALA 44 HA ALA 44 -0.209 15.932 -3.193 321 HB1 ALA 44 1HB ALA 44 0.505 14.677 -0.545 322 HB2 ALA 44 2HB ALA 44 -0.189 16.283 -0.772 323 HB3 ALA 44 3HB ALA 44 -1.120 14.850 -1.209 324 H GLU 45 H GLU 45 1.186 17.464 -3.738 325 HA GLU 45 HA GLU 45 3.981 17.134 -3.675 326 HB2 GLU 45 1HB GLU 45 4.104 19.455 -4.386 327 HB3 GLU 45 2HB GLU 45 2.823 18.624 -5.258 328 HG2 GLU 45 1HG GLU 45 1.145 19.745 -4.123 329 HG3 GLU 45 2HG GLU 45 2.206 20.184 -2.786 330 H ASP 46 H ASP 46 1.737 18.282 -1.325 331 HA ASP 46 HA ASP 46 3.971 19.169 0.381 332 HB2 ASP 46 1HB ASP 46 2.121 20.849 -0.329 333 HB3 ASP 46 2HB ASP 46 1.119 19.994 0.840 334 H GLY 47 H GLY 47 2.828 16.446 -0.023 335 HA2 GLY 47 1HA GLY 47 1.748 15.952 2.675 336 HA3 GLY 47 2HA GLY 47 1.547 14.882 1.296 337 HA PRO 48 HA PRO 48 5.180 13.606 4.056 338 HB2 PRO 48 1HB PRO 48 4.084 11.330 5.050 339 HB3 PRO 48 2HB PRO 48 3.918 12.901 5.842 340 HG2 PRO 48 1HG PRO 48 1.981 11.459 4.073 341 HG3 PRO 48 2HG PRO 48 1.677 12.341 5.581 342 HD2 PRO 48 1HD PRO 48 1.190 13.412 3.142 343 HD3 PRO 48 2HD PRO 48 1.698 14.393 4.531 344 H ALA 49 H ALA 49 2.993 11.932 1.880 345 HA ALA 49 HA ALA 49 4.601 9.686 1.327 346 HB1 ALA 49 1HB ALA 49 3.043 10.507 -0.958 347 HB2 ALA 49 2HB ALA 49 2.859 9.093 0.081 348 HB3 ALA 49 3HB ALA 49 2.102 10.621 0.529 349 H ILE 50 H ILE 50 3.993 12.421 -0.882 350 HA ILE 50 HA ILE 50 5.942 11.971 -2.722 351 HB ILE 50 HB ILE 50 4.213 13.924 -2.514 352 HG12 ILE 50 1HG1 ILE 50 6.835 14.658 -3.786 353 HG13 ILE 50 2HG1 ILE 50 5.889 13.306 -4.399 354 HG21 ILE 50 1HG2 ILE 50 6.718 15.208 -1.433 355 HG22 ILE 50 2HG2 ILE 50 5.268 16.069 -1.944 356 HG23 ILE 50 3HG2 ILE 50 5.202 14.975 -0.563 357 HD11 ILE 50 1HD1 ILE 50 4.003 15.239 -4.281 358 HD12 ILE 50 2HD1 ILE 50 5.444 16.188 -4.647 359 HD13 ILE 50 3HD1 ILE 50 4.967 14.863 -5.709 360 H ARG 51 H ARG 51 6.377 13.024 0.545 361 HA ARG 51 HA ARG 51 9.084 13.947 0.153 362 HB2 ARG 51 1HB ARG 51 7.493 13.419 2.670 363 HB3 ARG 51 2HB ARG 51 9.105 14.123 2.637 364 HG2 ARG 51 1HG ARG 51 8.338 16.086 1.586 365 HG3 ARG 51 2HG ARG 51 6.783 15.354 1.186 366 HD2 ARG 51 1HD ARG 51 6.496 16.862 3.042 367 HD3 ARG 51 2HD ARG 51 6.277 15.204 3.601 368 HE ARG 51 HE ARG 51 8.085 15.474 4.970 369 HH11 ARG 51 2HH1 ARG 51 8.139 17.957 2.530 370 HH12 ARG 51 1HH1 ARG 51 9.470 18.808 3.241 371 HH21 ARG 51 2HH2 ARG 51 9.838 16.586 5.915 372 HH22 ARG 51 1HH2 ARG 51 10.436 18.028 5.166 373 H ASN 52 H ASN 52 7.469 11.027 1.227 374 HA ASN 52 HA ASN 52 9.628 9.700 2.400 375 HB2 ASN 52 1HB ASN 52 7.765 8.470 2.798 376 HB3 ASN 52 2HB ASN 52 7.013 8.932 1.274 377 HD21 ASN 52 1HD2 ASN 52 6.637 7.263 0.028 378 HD22 ASN 52 2HD2 ASN 52 7.630 5.859 -0.132 379 H GLY 53 H GLY 53 8.407 9.398 -0.943 380 HA2 GLY 53 1HA GLY 53 9.786 9.335 -2.866 381 HA3 GLY 53 2HA GLY 53 11.156 8.936 -1.840 382 H ARG 54 H ARG 54 10.470 6.757 -0.497 383 HA ARG 54 HA ARG 54 10.963 4.618 -2.017 384 HB2 ARG 54 1HB ARG 54 9.089 4.796 0.338 385 HB3 ARG 54 2HB ARG 54 9.537 3.262 -0.396 386 HG2 ARG 54 1HG ARG 54 11.717 5.105 0.415 387 HG3 ARG 54 2HG ARG 54 10.831 4.248 1.678 388 HD2 ARG 54 1HD ARG 54 11.276 2.130 0.367 389 HD3 ARG 54 2HD ARG 54 12.392 3.080 -0.613 390 HE ARG 54 HE ARG 54 12.797 2.160 2.090 391 HH11 ARG 54 2HH1 ARG 54 13.756 4.436 -0.364 392 HH12 ARG 54 1HH1 ARG 54 15.319 4.722 0.328 393 HH21 ARG 54 2HH2 ARG 54 14.852 2.528 3.010 394 HH22 ARG 54 1HH2 ARG 54 15.941 3.635 2.246 395 H MET 55 H MET 55 7.893 6.273 -1.846 396 HA MET 55 HA MET 55 6.893 4.517 -3.986 397 HB2 MET 55 1HB MET 55 4.802 4.313 -3.030 398 HB3 MET 55 2HB MET 55 5.829 4.300 -1.602 399 HG2 MET 55 1HG MET 55 5.305 6.555 -1.098 400 HG3 MET 55 2HG MET 55 4.519 6.787 -2.658 401 HE1 MET 55 1HE MET 55 1.802 7.468 -1.773 402 HE2 MET 55 2HE MET 55 2.407 6.587 -3.176 403 HE3 MET 55 3HE MET 55 1.052 5.944 -2.247 404 H ARG 56 H ARG 56 5.888 5.504 -5.686 405 HA ARG 56 HA ARG 56 5.546 8.422 -5.549 406 HB2 ARG 56 1HB ARG 56 7.182 6.819 -7.433 407 HB3 ARG 56 2HB ARG 56 6.240 8.130 -8.132 408 HG2 ARG 56 1HG ARG 56 8.273 9.130 -7.679 409 HG3 ARG 56 2HG ARG 56 7.296 9.578 -6.280 410 HD2 ARG 56 1HD ARG 56 8.467 8.233 -4.858 411 HD3 ARG 56 2HD ARG 56 8.859 7.062 -6.117 412 HE ARG 56 HE ARG 56 10.785 8.221 -6.545 413 HH11 ARG 56 2HH1 ARG 56 8.646 10.220 -4.662 414 HH12 ARG 56 1HH1 ARG 56 9.824 11.464 -4.403 415 HH21 ARG 56 2HH2 ARG 56 12.345 9.851 -6.211 416 HH22 ARG 56 1HH2 ARG 56 11.928 11.253 -5.285 417 H VAL 57 H VAL 57 4.269 9.207 -7.534 418 HA VAL 57 HA VAL 57 1.827 7.663 -7.629 419 HB VAL 57 HB VAL 57 1.631 10.057 -7.361 420 HG11 VAL 57 1HG1 VAL 57 3.623 10.097 -9.452 421 HG12 VAL 57 2HG1 VAL 57 2.265 11.155 -9.838 422 HG13 VAL 57 3HG1 VAL 57 3.148 11.368 -8.326 423 HG21 VAL 57 1HG2 VAL 57 0.441 10.404 -9.799 424 HG22 VAL 57 2HG2 VAL 57 0.491 8.647 -9.655 425 HG23 VAL 57 3HG2 VAL 57 -0.300 9.611 -8.408 426 H GLY 58 H GLY 58 0.974 6.611 -9.364 427 HA2 GLY 58 1HA GLY 58 0.791 6.195 -11.721 428 HA3 GLY 58 2HA GLY 58 2.457 6.724 -11.904 429 H ASP 59 H ASP 59 2.724 4.965 -9.265 430 HA ASP 59 HA ASP 59 3.757 2.683 -10.671 431 HB2 ASP 59 1HB ASP 59 3.646 3.498 -7.779 432 HB3 ASP 59 2HB ASP 59 4.172 1.883 -8.244 433 H GLN 60 H GLN 60 3.276 0.504 -9.232 434 HA GLN 60 HA GLN 60 0.346 0.200 -9.243 435 HB2 GLN 60 1HB GLN 60 1.419 -0.862 -11.214 436 HB3 GLN 60 2HB GLN 60 2.373 -1.861 -10.125 437 HG2 GLN 60 1HG GLN 60 -0.617 -1.872 -10.011 438 HG3 GLN 60 2HG GLN 60 0.260 -2.857 -11.182 439 HE21 GLN 60 1HE2 GLN 60 -1.295 -3.132 -8.439 440 HE22 GLN 60 2HE2 GLN 60 -0.364 -4.342 -7.630 441 H ILE 61 H ILE 61 -0.366 -0.193 -7.263 442 HA ILE 61 HA ILE 61 1.390 -1.274 -5.234 443 HB ILE 61 HB ILE 61 -1.535 -0.562 -4.997 444 HG12 ILE 61 1HG1 ILE 61 0.740 1.167 -4.070 445 HG13 ILE 61 2HG1 ILE 61 0.162 1.270 -5.729 446 HG21 ILE 61 1HG2 ILE 61 0.436 -1.660 -3.170 447 HG22 ILE 61 2HG2 ILE 61 -0.296 -0.176 -2.561 448 HG23 ILE 61 3HG2 ILE 61 -1.316 -1.544 -3.007 449 HD11 ILE 61 1HD1 ILE 61 -1.638 1.594 -3.349 450 HD12 ILE 61 2HD1 ILE 61 -0.800 2.939 -4.124 451 HD13 ILE 61 3HD1 ILE 61 -1.976 1.991 -5.033 452 H ILE 62 H ILE 62 1.578 -3.358 -4.775 453 HA ILE 62 HA ILE 62 -0.426 -5.227 -5.808 454 HB ILE 62 HB ILE 62 1.486 -6.855 -4.845 455 HG12 ILE 62 1HG1 ILE 62 2.780 -4.774 -4.128 456 HG13 ILE 62 2HG1 ILE 62 3.666 -5.963 -5.077 457 HG21 ILE 62 1HG2 ILE 62 2.382 -5.938 -7.403 458 HG22 ILE 62 2HG2 ILE 62 1.510 -7.414 -6.992 459 HG23 ILE 62 3HG2 ILE 62 0.619 -5.936 -7.355 460 HD11 ILE 62 1HD1 ILE 62 2.382 -3.930 -6.712 461 HD12 ILE 62 2HD1 ILE 62 3.555 -3.275 -5.568 462 HD13 ILE 62 3HD1 ILE 62 4.045 -4.516 -6.721 463 H GLU 63 H GLU 63 1.020 -4.092 -2.833 464 HA GLU 63 HA GLU 63 -0.961 -5.670 -1.339 465 HB2 GLU 63 1HB GLU 63 1.203 -6.760 -1.064 466 HB3 GLU 63 2HB GLU 63 1.930 -5.238 -0.569 467 HG2 GLU 63 1HG GLU 63 0.305 -5.229 1.358 468 HG3 GLU 63 2HG GLU 63 -0.091 -6.888 0.915 469 H ILE 64 H ILE 64 -1.729 -4.723 0.586 470 HA ILE 64 HA ILE 64 -0.936 -1.949 1.098 471 HB ILE 64 HB ILE 64 -3.790 -2.848 0.691 472 HG12 ILE 64 1HG1 ILE 64 -2.023 -0.925 -0.836 473 HG13 ILE 64 2HG1 ILE 64 -2.645 -2.467 -1.414 474 HG21 ILE 64 1HG2 ILE 64 -3.006 -1.027 2.518 475 HG22 ILE 64 2HG2 ILE 64 -3.177 0.003 1.098 476 HG23 ILE 64 3HG2 ILE 64 -4.545 -0.957 1.659 477 HD11 ILE 64 1HD1 ILE 64 -4.895 -1.607 -1.397 478 HD12 ILE 64 2HD1 ILE 64 -4.337 -0.085 -0.702 479 HD13 ILE 64 3HD1 ILE 64 -3.851 -0.540 -2.335 480 H ASN 65 H ASN 65 -0.358 -1.872 3.160 481 HA ASN 65 HA ASN 65 -0.255 -2.263 5.400 482 HB2 ASN 65 1HB ASN 65 -3.163 -2.180 4.776 483 HB3 ASN 65 2HB ASN 65 -2.697 -2.769 6.369 484 HD21 ASN 65 1HD2 ASN 65 -4.147 -0.375 5.715 485 HD22 ASN 65 2HD2 ASN 65 -3.217 0.952 6.314 486 H GLY 66 H GLY 66 0.318 -4.487 3.762 487 HA2 GLY 66 1HA GLY 66 0.752 -6.730 4.013 488 HA3 GLY 66 2HA GLY 66 0.197 -6.572 5.674 489 H GLU 67 H GLU 67 -1.640 -5.953 2.715 490 HA GLU 67 HA GLU 67 -3.264 -8.336 3.259 491 HB2 GLU 67 1HB GLU 67 -4.351 -5.554 2.788 492 HB3 GLU 67 2HB GLU 67 -5.324 -7.017 2.838 493 HG2 GLU 67 1HG GLU 67 -4.204 -7.302 5.192 494 HG3 GLU 67 2HG GLU 67 -3.974 -5.561 5.049 495 H SER 68 H SER 68 -3.207 -9.543 1.493 496 HA SER 68 HA SER 68 -2.255 -8.860 -0.985 497 HB2 SER 68 1HB SER 68 -2.765 -11.183 -0.166 498 HB3 SER 68 2HB SER 68 -4.463 -10.877 -0.527 499 HG SER 68 HG SER 68 -3.833 -11.693 -2.391 500 H THR 69 H THR 69 -2.900 -7.304 -2.307 501 HA THR 69 HA THR 69 -5.654 -6.403 -2.326 502 HB THR 69 HB THR 69 -4.930 -4.589 -3.694 503 HG1 THR 69 1HG THR 69 -2.672 -4.619 -4.461 504 HG21 THR 69 1HG2 THR 69 -2.528 -4.233 -2.366 505 HG22 THR 69 2HG2 THR 69 -3.435 -5.313 -1.307 506 HG23 THR 69 3HG2 THR 69 -4.122 -3.759 -1.780 507 H ARG 70 H ARG 70 -5.603 -8.981 -3.192 508 HA ARG 70 HA ARG 70 -5.687 -8.897 -6.117 509 HB2 ARG 70 1HB ARG 70 -4.502 -10.752 -4.836 510 HB3 ARG 70 2HB ARG 70 -6.100 -11.313 -4.360 511 HG2 ARG 70 1HG ARG 70 -5.412 -12.604 -6.228 512 HG3 ARG 70 2HG ARG 70 -6.668 -11.497 -6.787 513 HD2 ARG 70 1HD ARG 70 -4.913 -9.981 -7.628 514 HD3 ARG 70 2HD ARG 70 -3.691 -11.150 -7.127 515 HE ARG 70 HE ARG 70 -5.240 -12.628 -8.735 516 HH11 ARG 70 2HH1 ARG 70 -3.834 -9.469 -9.136 517 HH12 ARG 70 1HH1 ARG 70 -3.688 -9.609 -10.856 518 HH21 ARG 70 2HH2 ARG 70 -5.052 -12.825 -10.999 519 HH22 ARG 70 1HH2 ARG 70 -4.381 -11.519 -11.915 520 H ASP 71 H ASP 71 -7.731 -9.467 -3.306 521 HA ASP 71 HA ASP 71 -10.080 -9.371 -5.084 522 HB2 ASP 71 1HB ASP 71 -9.494 -11.565 -3.744 523 HB3 ASP 71 2HB ASP 71 -10.228 -10.690 -2.403 524 H MET 72 H MET 72 -8.991 -7.030 -4.188 525 HA MET 72 HA MET 72 -10.915 -6.179 -2.124 526 HB2 MET 72 1HB MET 72 -8.207 -4.933 -2.602 527 HB3 MET 72 2HB MET 72 -9.322 -4.592 -1.285 528 HG2 MET 72 1HG MET 72 -8.991 -7.172 -0.821 529 HG3 MET 72 2HG MET 72 -7.476 -6.877 -1.669 530 HE1 MET 72 1HE MET 72 -5.955 -3.978 0.395 531 HE2 MET 72 2HE MET 72 -6.531 -4.364 -1.227 532 HE3 MET 72 3HE MET 72 -7.547 -3.428 -0.129 533 H THR 73 H THR 73 -11.832 -4.104 -2.359 534 HA THR 73 HA THR 73 -11.785 -3.118 -5.129 535 HB THR 73 HB THR 73 -13.955 -1.998 -4.517 536 HG1 THR 73 1HG THR 73 -13.949 -3.741 -2.275 537 HG21 THR 73 1HG2 THR 73 -13.495 -4.911 -4.721 538 HG22 THR 73 2HG2 THR 73 -14.471 -3.843 -5.730 539 HG23 THR 73 3HG2 THR 73 -15.099 -4.413 -4.184 540 H HIS 74 H HIS 74 -11.613 -0.912 -5.569 541 HA HIS 74 HA HIS 74 -9.773 0.611 -4.379 542 HB2 HIS 74 1HB HIS 74 -11.237 1.144 -6.433 543 HB3 HIS 74 2HB HIS 74 -12.320 1.933 -5.290 544 HD1 HIS 74 1HD HIS 74 -11.514 3.980 -7.005 545 HD2 HIS 74 2HD HIS 74 -8.830 2.648 -4.128 546 HE1 HIS 74 1HE HIS 74 -9.825 5.826 -6.755 547 HE2 HIS 74 2HE HIS 74 -8.163 4.962 -5.072 548 H ALA 75 H ALA 75 -13.151 0.432 -3.346 549 HA ALA 75 HA ALA 75 -13.108 2.414 -1.385 550 HB1 ALA 75 1HB ALA 75 -15.114 1.162 -2.282 551 HB2 ALA 75 2HB ALA 75 -14.689 -0.134 -1.163 552 HB3 ALA 75 3HB ALA 75 -15.100 1.465 -0.545 553 H ARG 76 H ARG 76 -12.473 -1.076 -1.065 554 HA ARG 76 HA ARG 76 -11.990 -1.159 1.665 555 HB2 ARG 76 1HB ARG 76 -12.172 -3.215 0.492 556 HB3 ARG 76 2HB ARG 76 -10.869 -2.788 -0.608 557 HG2 ARG 76 1HG ARG 76 -10.191 -4.471 1.035 558 HG3 ARG 76 2HG ARG 76 -9.250 -2.985 1.177 559 HD2 ARG 76 1HD ARG 76 -10.174 -2.429 3.190 560 HD3 ARG 76 2HD ARG 76 -11.698 -3.243 2.837 561 HE ARG 76 HE ARG 76 -9.424 -4.992 3.202 562 HH11 ARG 76 2HH1 ARG 76 -12.128 -3.383 4.691 563 HH12 ARG 76 1HH1 ARG 76 -12.210 -4.477 6.031 564 HH21 ARG 76 2HH2 ARG 76 -9.520 -6.440 4.962 565 HH22 ARG 76 1HH2 ARG 76 -10.725 -6.215 6.185 566 H ALA 77 H ALA 77 -9.473 -1.057 -0.866 567 HA ALA 77 HA ALA 77 -7.254 -0.678 0.657 568 HB1 ALA 77 1HB ALA 77 -7.316 -0.881 -1.825 569 HB2 ALA 77 2HB ALA 77 -7.767 0.822 -1.906 570 HB3 ALA 77 3HB ALA 77 -6.206 0.355 -1.232 571 H ILE 78 H ILE 78 -9.655 1.754 -0.203 572 HA ILE 78 HA ILE 78 -8.246 3.998 0.782 573 HB ILE 78 HB ILE 78 -11.205 3.549 0.400 574 HG12 ILE 78 1HG1 ILE 78 -9.529 3.598 -1.576 575 HG13 ILE 78 2HG1 ILE 78 -10.970 4.604 -1.674 576 HG21 ILE 78 1HG2 ILE 78 -10.866 5.257 2.091 577 HG22 ILE 78 2HG2 ILE 78 -9.738 6.105 1.034 578 HG23 ILE 78 3HG2 ILE 78 -11.441 5.985 0.592 579 HD11 ILE 78 1HD1 ILE 78 -8.724 5.615 -2.362 580 HD12 ILE 78 2HD1 ILE 78 -9.772 6.560 -1.304 581 HD13 ILE 78 3HD1 ILE 78 -8.388 5.698 -0.633 582 H GLU 79 H GLU 79 -10.355 1.638 2.293 583 HA GLU 79 HA GLU 79 -10.531 3.102 4.774 584 HB2 GLU 79 1HB GLU 79 -12.121 1.599 5.378 585 HB3 GLU 79 2HB GLU 79 -12.153 1.278 3.650 586 HG2 GLU 79 1HG GLU 79 -10.710 -0.628 3.929 587 HG3 GLU 79 2HG GLU 79 -10.518 -0.271 5.645 588 H LEU 80 H LEU 80 -8.497 0.670 3.376 589 HA LEU 80 HA LEU 80 -7.418 -0.394 5.768 590 HB2 LEU 80 1HB LEU 80 -6.318 -0.255 2.968 591 HB3 LEU 80 2HB LEU 80 -5.546 -1.139 4.283 592 HG LEU 80 HG LEU 80 -8.279 -1.725 3.143 593 HD11 LEU 80 1HD1 LEU 80 -6.265 -2.216 1.686 594 HD12 LEU 80 2HD1 LEU 80 -7.326 -3.577 2.050 595 HD13 LEU 80 3HD1 LEU 80 -5.795 -3.399 2.908 596 HD21 LEU 80 1HD2 LEU 80 -8.255 -3.680 4.542 597 HD22 LEU 80 2HD2 LEU 80 -8.009 -2.255 5.551 598 HD23 LEU 80 3HD2 LEU 80 -6.641 -3.288 5.134 599 H ILE 81 H ILE 81 -6.414 2.245 3.634 600 HA ILE 81 HA ILE 81 -3.971 2.840 4.860 601 HB ILE 81 HB ILE 81 -5.833 4.832 3.565 602 HG12 ILE 81 1HG1 ILE 81 -3.615 3.383 2.149 603 HG13 ILE 81 2HG1 ILE 81 -5.217 2.663 2.267 604 HG21 ILE 81 1HG2 ILE 81 -3.714 5.992 3.005 605 HG22 ILE 81 2HG2 ILE 81 -4.025 5.899 4.737 606 HG23 ILE 81 3HG2 ILE 81 -2.850 4.815 3.993 607 HD11 ILE 81 1HD1 ILE 81 -6.070 4.031 0.722 608 HD12 ILE 81 2HD1 ILE 81 -5.206 5.437 1.343 609 HD13 ILE 81 3HD1 ILE 81 -4.386 4.300 0.274 610 H LYS 82 H LYS 82 -7.248 3.630 5.752 611 HA LYS 82 HA LYS 82 -6.318 5.417 7.876 612 HB2 LYS 82 1HB LYS 82 -8.878 5.666 8.210 613 HB3 LYS 82 2HB LYS 82 -8.126 6.420 6.811 614 HG2 LYS 82 1HG LYS 82 -8.839 4.556 5.411 615 HG3 LYS 82 2HG LYS 82 -9.578 3.781 6.814 616 HD2 LYS 82 1HD LYS 82 -11.276 4.923 5.521 617 HD3 LYS 82 2HD LYS 82 -11.063 5.736 7.073 618 HE2 LYS 82 1HE LYS 82 -9.893 7.525 6.095 619 HE3 LYS 82 2HE LYS 82 -9.618 6.634 4.598 620 HZ1 LYS 82 1HZ LYS 82 -11.925 6.805 4.056 621 HZ2 LYS 82 2HZ LYS 82 -11.359 8.356 4.424 622 HZ3 LYS 82 3HZ LYS 82 -12.291 7.506 5.552 623 H SER 83 H SER 83 -7.336 2.204 7.359 624 HA SER 83 HA SER 83 -8.409 1.691 9.955 625 HB2 SER 83 1HB SER 83 -8.920 0.309 7.937 626 HB3 SER 83 2HB SER 83 -7.264 -0.296 7.979 627 HG SER 83 HG SER 83 -9.154 -0.554 10.082 628 H GLY 84 H GLY 84 -5.224 1.449 8.481 629 HA2 GLY 84 1HA GLY 84 -3.984 0.008 10.587 630 HA3 GLY 84 2HA GLY 84 -3.158 0.963 9.364 631 H GLY 85 H GLY 85 -4.278 3.478 9.912 632 HA2 GLY 85 1HA GLY 85 -4.578 4.756 12.091 633 HA3 GLY 85 2HA GLY 85 -3.056 4.004 12.546 634 H ARG 86 H ARG 86 -1.644 5.643 12.633 635 HA ARG 86 HA ARG 86 -1.689 7.734 10.617 636 HB2 ARG 86 1HB ARG 86 -0.427 7.348 13.268 637 HB3 ARG 86 2HB ARG 86 0.472 8.329 12.118 638 HG2 ARG 86 1HG ARG 86 -1.176 9.959 12.025 639 HG3 ARG 86 2HG ARG 86 -2.419 8.874 12.652 640 HD2 ARG 86 1HD ARG 86 -1.574 8.998 14.841 641 HD3 ARG 86 2HD ARG 86 -0.043 9.683 14.298 642 HE ARG 86 HE ARG 86 -2.527 11.097 14.747 643 HH11 ARG 86 2HH1 ARG 86 0.641 11.150 13.305 644 HH12 ARG 86 1HH1 ARG 86 0.720 12.879 13.230 645 HH21 ARG 86 2HH2 ARG 86 -2.435 13.374 14.654 646 HH22 ARG 86 1HH2 ARG 86 -1.029 14.143 13.998 647 H ARG 87 H ARG 87 -0.088 4.777 11.201 648 HA ARG 87 HA ARG 87 1.993 5.461 9.231 649 HB2 ARG 87 1HB ARG 87 2.042 3.250 11.292 650 HB3 ARG 87 2HB ARG 87 3.344 3.675 10.190 651 HG2 ARG 87 1HG ARG 87 3.677 5.775 11.287 652 HG3 ARG 87 2HG ARG 87 2.244 5.529 12.288 653 HD2 ARG 87 1HD ARG 87 3.269 3.833 13.536 654 HD3 ARG 87 2HD ARG 87 4.537 3.596 12.334 655 HE ARG 87 HE ARG 87 4.658 6.215 13.397 656 HH11 ARG 87 2HH1 ARG 87 5.351 2.897 14.193 657 HH12 ARG 87 1HH1 ARG 87 6.615 3.293 15.310 658 HH21 ARG 87 2HH2 ARG 87 6.320 6.748 14.865 659 HH22 ARG 87 1HH2 ARG 87 7.165 5.484 15.692 660 H VAL 88 H VAL 88 1.809 4.557 7.296 661 HA VAL 88 HA VAL 88 0.241 2.072 7.048 662 HB VAL 88 HB VAL 88 -0.882 4.043 6.039 663 HG11 VAL 88 1HG1 VAL 88 1.209 4.057 3.901 664 HG12 VAL 88 2HG1 VAL 88 0.019 5.294 4.313 665 HG13 VAL 88 3HG1 VAL 88 1.419 5.033 5.354 666 HG21 VAL 88 1HG2 VAL 88 -1.166 1.706 5.191 667 HG22 VAL 88 2HG2 VAL 88 -1.491 2.963 3.997 668 HG23 VAL 88 3HG2 VAL 88 0.031 2.074 3.949 669 H ARG 89 H ARG 89 0.943 0.522 5.549 670 HA ARG 89 HA ARG 89 3.546 0.952 4.285 671 HB2 ARG 89 1HB ARG 89 4.225 -0.066 6.316 672 HB3 ARG 89 2HB ARG 89 2.898 -1.219 6.270 673 HG2 ARG 89 1HG ARG 89 4.018 -2.064 4.101 674 HG3 ARG 89 2HG ARG 89 5.437 -1.201 4.696 675 HD2 ARG 89 1HD ARG 89 5.164 -2.474 6.853 676 HD3 ARG 89 2HD ARG 89 3.950 -3.453 6.031 677 HE ARG 89 HE ARG 89 5.626 -4.518 4.870 678 HH11 ARG 89 2HH1 ARG 89 6.914 -1.727 6.504 679 HH12 ARG 89 1HH1 ARG 89 8.566 -2.145 6.192 680 HH21 ARG 89 2HH2 ARG 89 7.797 -5.079 4.453 681 HH22 ARG 89 1HH2 ARG 89 9.067 -4.051 5.025 682 H LEU 90 H LEU 90 3.242 0.514 2.210 683 HA LEU 90 HA LEU 90 1.653 -1.856 1.490 684 HB2 LEU 90 1HB LEU 90 1.202 -0.363 -0.655 685 HB3 LEU 90 2HB LEU 90 0.157 -0.322 0.764 686 HG LEU 90 HG LEU 90 2.386 1.624 0.704 687 HD11 LEU 90 1HD1 LEU 90 0.529 3.049 -0.628 688 HD12 LEU 90 2HD1 LEU 90 0.314 1.469 -1.382 689 HD13 LEU 90 3HD1 LEU 90 1.896 2.248 -1.402 690 HD21 LEU 90 1HD2 LEU 90 -0.173 2.731 1.232 691 HD22 LEU 90 2HD2 LEU 90 1.161 2.457 2.353 692 HD23 LEU 90 3HD2 LEU 90 -0.050 1.199 2.098 693 H LEU 91 H LEU 91 2.316 -2.980 -0.363 694 HA LEU 91 HA LEU 91 5.133 -2.649 -0.986 695 HB2 LEU 91 1HB LEU 91 3.887 -4.858 -0.489 696 HB3 LEU 91 2HB LEU 91 3.338 -4.741 -2.160 697 HG LEU 91 HG LEU 91 6.213 -4.910 -1.256 698 HD11 LEU 91 1HD1 LEU 91 6.082 -7.127 -2.438 699 HD12 LEU 91 2HD1 LEU 91 4.330 -6.933 -2.445 700 HD13 LEU 91 3HD1 LEU 91 5.200 -7.024 -0.914 701 HD21 LEU 91 1HD2 LEU 91 5.037 -4.949 -4.034 702 HD22 LEU 91 2HD2 LEU 91 6.742 -5.115 -3.613 703 HD23 LEU 91 3HD2 LEU 91 5.902 -3.593 -3.311 704 H LEU 92 H LEU 92 5.730 -1.359 -2.589 705 HA LEU 92 HA LEU 92 4.049 -1.254 -5.006 706 HB2 LEU 92 1HB LEU 92 4.141 0.824 -3.487 707 HB3 LEU 92 2HB LEU 92 5.780 1.022 -4.105 708 HG LEU 92 HG LEU 92 4.650 0.959 -6.436 709 HD11 LEU 92 1HD1 LEU 92 2.289 2.214 -5.280 710 HD12 LEU 92 2HD1 LEU 92 2.404 0.489 -4.932 711 HD13 LEU 92 3HD1 LEU 92 2.427 1.054 -6.602 712 HD21 LEU 92 1HD2 LEU 92 5.163 3.052 -4.537 713 HD22 LEU 92 2HD2 LEU 92 3.802 3.486 -5.572 714 HD23 LEU 92 3HD2 LEU 92 5.355 3.058 -6.291 715 H LYS 93 H LYS 93 5.186 -0.827 -7.002 716 HA LYS 93 HA LYS 93 8.048 -1.507 -6.914 717 HB2 LYS 93 1HB LYS 93 7.752 -2.906 -8.914 718 HB3 LYS 93 2HB LYS 93 6.812 -3.510 -7.556 719 HG2 LYS 93 1HG LYS 93 4.905 -2.075 -8.640 720 HG3 LYS 93 2HG LYS 93 5.894 -2.253 -10.091 721 HD2 LYS 93 1HD LYS 93 5.362 -4.695 -8.493 722 HD3 LYS 93 2HD LYS 93 4.015 -4.018 -9.411 723 HE2 LYS 93 1HE LYS 93 6.716 -4.655 -10.587 724 HE3 LYS 93 2HE LYS 93 5.336 -5.752 -10.632 725 HZ1 LYS 93 1HZ LYS 93 4.109 -4.164 -11.916 726 HZ2 LYS 93 2HZ LYS 93 5.597 -4.428 -12.674 727 HZ3 LYS 93 3HZ LYS 93 5.342 -3.014 -11.781 728 H ARG 94 H ARG 94 9.314 -0.178 -8.047 729 HA ARG 94 HA ARG 94 8.021 1.781 -9.809 730 HB2 ARG 94 1HB ARG 94 9.588 2.339 -7.758 731 HB3 ARG 94 2HB ARG 94 10.864 2.032 -8.928 732 HG2 ARG 94 1HG ARG 94 8.666 3.871 -9.706 733 HG3 ARG 94 2HG ARG 94 9.874 4.443 -8.553 734 HD2 ARG 94 1HD ARG 94 11.579 3.518 -10.282 735 HD3 ARG 94 2HD ARG 94 10.220 3.602 -11.403 736 HE ARG 94 HE ARG 94 11.705 5.810 -10.301 737 HH11 ARG 94 2HH1 ARG 94 8.717 4.795 -11.770 738 HH12 ARG 94 1HH1 ARG 94 8.318 6.375 -12.358 739 HH21 ARG 94 2HH2 ARG 94 11.191 7.895 -11.070 740 HH22 ARG 94 1HH2 ARG 94 9.726 8.138 -11.961 741 H GLY 95 H GLY 95 8.643 2.065 -11.914 742 HA2 GLY 95 1HA GLY 95 10.126 -0.140 -13.099 743 HA3 GLY 95 2HA GLY 95 9.217 1.091 -13.963 744 H THR 96 H THR 96 12.122 0.758 -11.931 745 HA THR 96 HA THR 96 13.422 2.779 -13.639 746 HB THR 96 HB THR 96 13.260 3.571 -11.356 747 HG1 THR 96 1HG THR 96 15.593 3.135 -12.638 748 HG21 THR 96 1HG2 THR 96 13.014 1.501 -10.153 749 HG22 THR 96 2HG2 THR 96 14.431 2.345 -9.527 750 HG23 THR 96 3HG2 THR 96 14.631 0.983 -10.629 751 H GLY 97 H GLY 97 13.858 -0.298 -11.949 752 HA2 GLY 97 1HA GLY 97 16.519 -0.784 -12.708 753 HA3 GLY 97 2HA GLY 97 15.343 -2.017 -12.277 754 H SER 98 H SER 98 16.082 -3.451 -13.851 755 HA SER 98 HA SER 98 16.701 -3.099 -16.451 756 HB2 SER 98 1HB SER 98 15.686 -5.352 -16.897 757 HB3 SER 98 2HB SER 98 16.735 -5.306 -15.480 758 HG SER 98 HG SER 98 14.462 -4.755 -14.482 759 H GLY 99 H GLY 99 15.742 -1.678 -17.780 760 HA2 GLY 99 1HA GLY 99 12.952 -2.189 -18.506 761 HA3 GLY 99 2HA GLY 99 13.366 -0.569 -17.965 762 HA PRO 100 HA PRO 100 15.766 -1.277 -22.112 763 HB2 PRO 100 1HB PRO 100 15.086 -3.489 -23.531 764 HB3 PRO 100 2HB PRO 100 16.387 -3.478 -22.335 765 HG2 PRO 100 1HG PRO 100 13.566 -4.440 -22.056 766 HG3 PRO 100 2HG PRO 100 15.066 -5.190 -21.481 767 HD2 PRO 100 1HD PRO 100 13.428 -3.775 -19.854 768 HD3 PRO 100 2HD PRO 100 15.189 -3.823 -19.630 769 H SER 101 H SER 101 12.478 -1.579 -21.458 770 HA SER 101 HA SER 101 11.561 -1.140 -24.172 771 HB2 SER 101 1HB SER 101 9.965 -1.012 -21.604 772 HB3 SER 101 2HB SER 101 9.330 -1.174 -23.241 773 HG SER 101 HG SER 101 11.149 -3.079 -22.271 774 H SER 102 H SER 102 13.343 0.807 -22.768 775 HA SER 102 HA SER 102 11.594 3.159 -22.650 776 HB2 SER 102 1HB SER 102 14.320 2.536 -21.573 777 HB3 SER 102 2HB SER 102 13.865 4.217 -21.852 778 HG SER 102 HG SER 102 12.318 4.070 -20.340 779 H GLY 103 H GLY 103 14.355 1.808 -24.360 780 HA2 GLY 103 1HA GLY 103 13.841 3.145 -26.753 781 HA3 GLY 103 2HA GLY 103 15.016 4.107 -25.867 Start of MODEL 20 1 H1 GLY 1 H GLY 1 8.305 -30.375 -10.318 2 HA2 GLY 1 1HA GLY 1 6.327 -29.522 -11.932 3 HA3 GLY 1 2HA GLY 1 5.452 -29.887 -10.453 4 H SER 2 H SER 2 5.198 -27.399 -11.162 5 HA SER 2 HA SER 2 7.317 -25.733 -10.109 6 HB2 SER 2 1HB SER 2 5.880 -23.857 -10.748 7 HB3 SER 2 2HB SER 2 6.003 -25.012 -12.075 8 HG SER 2 HG SER 2 3.890 -24.806 -11.991 9 H SER 3 H SER 3 7.397 -26.383 -7.930 10 HA SER 3 HA SER 3 5.088 -26.247 -6.240 11 HB2 SER 3 1HB SER 3 7.995 -26.792 -5.859 12 HB3 SER 3 2HB SER 3 7.062 -26.291 -4.449 13 HG SER 3 HG SER 3 6.896 -28.481 -4.532 14 H GLY 4 H GLY 4 7.991 -24.231 -6.662 15 HA2 GLY 4 1HA GLY 4 7.137 -22.258 -4.775 16 HA3 GLY 4 2HA GLY 4 8.465 -22.102 -5.915 17 H SER 5 H SER 5 5.956 -20.467 -5.040 18 HA SER 5 HA SER 5 4.644 -20.065 -7.596 19 HB2 SER 5 1HB SER 5 3.219 -19.955 -5.668 20 HB3 SER 5 2HB SER 5 4.276 -18.782 -4.883 21 HG SER 5 HG SER 5 3.748 -17.336 -6.625 22 H SER 6 H SER 6 5.049 -18.473 -9.009 23 HA SER 6 HA SER 6 6.448 -16.071 -8.233 24 HB2 SER 6 1HB SER 6 8.313 -16.371 -9.809 25 HB3 SER 6 2HB SER 6 8.324 -17.625 -8.569 26 HG SER 6 HG SER 6 7.904 -19.092 -10.036 27 H GLY 7 H GLY 7 6.599 -14.510 -10.008 28 HA2 GLY 7 1HA GLY 7 5.069 -15.087 -12.409 29 HA3 GLY 7 2HA GLY 7 4.328 -13.937 -11.306 30 H GLN 8 H GLN 8 4.729 -12.917 -13.662 31 HA GLN 8 HA GLN 8 7.351 -11.813 -14.033 32 HB2 GLN 8 1HB GLN 8 4.743 -11.033 -15.346 33 HB3 GLN 8 2HB GLN 8 6.354 -10.589 -15.894 34 HG2 GLN 8 1HG GLN 8 6.860 -12.796 -16.529 35 HG3 GLN 8 2HG GLN 8 5.471 -13.446 -15.660 36 HE21 GLN 8 1HE2 GLN 8 3.904 -14.073 -16.940 37 HE22 GLN 8 2HE2 GLN 8 3.470 -13.364 -18.455 38 H ASP 9 H ASP 9 7.998 -10.491 -12.418 39 HA ASP 9 HA ASP 9 6.303 -8.145 -11.861 40 HB2 ASP 9 1HB ASP 9 7.646 -8.187 -9.604 41 HB3 ASP 9 2HB ASP 9 6.231 -9.215 -9.813 42 H PHE 10 H PHE 10 7.778 -6.393 -10.724 43 HA PHE 10 HA PHE 10 10.208 -6.130 -12.371 44 HB2 PHE 10 1HB PHE 10 8.379 -3.927 -11.391 45 HB3 PHE 10 2HB PHE 10 9.837 -3.702 -12.352 46 HD1 PHE 10 1HD PHE 10 6.743 -5.788 -12.515 47 HD2 PHE 10 2HD PHE 10 9.487 -3.264 -14.568 48 HE1 PHE 10 1HE PHE 10 5.415 -6.023 -14.573 49 HE2 PHE 10 2HE PHE 10 8.163 -3.495 -16.629 50 HZ PHE 10 HZ PHE 10 6.124 -4.875 -16.633 51 H ASP 11 H ASP 11 8.706 -5.150 -9.303 52 HA ASP 11 HA ASP 11 11.065 -5.721 -7.817 53 HB2 ASP 11 1HB ASP 11 11.818 -3.609 -8.782 54 HB3 ASP 11 2HB ASP 11 10.354 -2.808 -8.219 55 H TYR 12 H TYR 12 10.281 -6.502 -5.986 56 HA TYR 12 HA TYR 12 7.694 -5.535 -5.011 57 HB2 TYR 12 1HB TYR 12 9.286 -8.039 -4.499 58 HB3 TYR 12 2HB TYR 12 7.929 -7.584 -3.474 59 HD1 TYR 12 1HD TYR 12 6.010 -6.523 -5.425 60 HD2 TYR 12 2HD TYR 12 8.571 -9.912 -5.679 61 HE1 TYR 12 1HE TYR 12 4.454 -7.572 -7.015 62 HE2 TYR 12 2HE TYR 12 7.022 -10.970 -7.270 63 HH TYR 12 HH TYR 12 4.488 -10.772 -7.779 64 H PHE 13 H PHE 13 8.544 -3.563 -4.148 65 HA PHE 13 HA PHE 13 10.131 -3.926 -1.693 66 HB2 PHE 13 1HB PHE 13 11.045 -1.765 -1.981 67 HB3 PHE 13 2HB PHE 13 11.092 -2.499 -3.581 68 HD1 PHE 13 1HD PHE 13 9.651 -1.713 -5.355 69 HD2 PHE 13 2HD PHE 13 9.543 0.061 -1.487 70 HE1 PHE 13 1HE PHE 13 8.402 0.199 -6.270 71 HE2 PHE 13 2HE PHE 13 8.293 1.975 -2.396 72 HZ PHE 13 HZ PHE 13 7.720 2.045 -4.790 73 H THR 14 H THR 14 9.517 -2.813 0.183 74 HA THR 14 HA THR 14 6.660 -2.252 0.326 75 HB THR 14 HB THR 14 7.013 -2.208 2.783 76 HG1 THR 14 1HG THR 14 9.087 -2.851 3.554 77 HG21 THR 14 1HG2 THR 14 7.301 -4.454 1.019 78 HG22 THR 14 2HG2 THR 14 6.514 -4.372 2.596 79 HG23 THR 14 3HG2 THR 14 8.239 -4.724 2.488 80 H VAL 15 H VAL 15 5.887 -0.384 1.561 81 HA VAL 15 HA VAL 15 7.657 1.952 1.231 82 HB VAL 15 HB VAL 15 4.646 1.883 0.986 83 HG11 VAL 15 1HG1 VAL 15 4.953 4.225 0.178 84 HG12 VAL 15 2HG1 VAL 15 5.334 3.992 1.885 85 HG13 VAL 15 3HG1 VAL 15 6.634 4.130 0.701 86 HG21 VAL 15 1HG2 VAL 15 6.769 2.251 -1.126 87 HG22 VAL 15 2HG2 VAL 15 5.751 0.826 -0.917 88 HG23 VAL 15 3HG2 VAL 15 5.028 2.366 -1.382 89 H ASP 16 H ASP 16 7.584 3.575 2.803 90 HA ASP 16 HA ASP 16 6.052 2.993 5.237 91 HB2 ASP 16 1HB ASP 16 8.305 2.098 5.594 92 HB3 ASP 16 2HB ASP 16 9.003 3.657 5.164 93 H MET 17 H MET 17 4.863 4.704 5.725 94 HA MET 17 HA MET 17 6.017 7.362 5.656 95 HB2 MET 17 1HB MET 17 3.383 7.119 4.282 96 HB3 MET 17 2HB MET 17 4.650 8.321 4.072 97 HG2 MET 17 1HG MET 17 6.008 6.676 2.877 98 HG3 MET 17 2HG MET 17 4.727 5.483 3.077 99 HE1 MET 17 1HE MET 17 2.187 8.159 2.295 100 HE2 MET 17 2HE MET 17 1.812 6.905 1.114 101 HE3 MET 17 3HE MET 17 2.281 6.459 2.755 102 H GLU 18 H GLU 18 4.382 9.003 6.499 103 HA GLU 18 HA GLU 18 2.665 7.725 8.525 104 HB2 GLU 18 1HB GLU 18 4.683 9.890 8.758 105 HB3 GLU 18 2HB GLU 18 3.208 10.079 9.695 106 HG2 GLU 18 1HG GLU 18 3.631 8.208 10.987 107 HG3 GLU 18 2HG GLU 18 4.742 7.519 9.805 108 H LYS 19 H LYS 19 1.091 9.470 9.464 109 HA LYS 19 HA LYS 19 -0.445 10.438 7.209 110 HB2 LYS 19 1HB LYS 19 -1.326 9.252 9.353 111 HB3 LYS 19 2HB LYS 19 -1.204 10.847 10.084 112 HG2 LYS 19 1HG LYS 19 -2.901 11.714 8.812 113 HG3 LYS 19 2HG LYS 19 -2.657 10.556 7.502 114 HD2 LYS 19 1HD LYS 19 -3.539 9.536 10.157 115 HD3 LYS 19 2HD LYS 19 -4.718 10.366 9.140 116 HE2 LYS 19 1HE LYS 19 -3.010 8.208 7.977 117 HE3 LYS 19 2HE LYS 19 -4.411 7.779 8.957 118 HZ1 LYS 19 1HZ LYS 19 -4.349 8.564 6.270 119 HZ2 LYS 19 2HZ LYS 19 -5.196 9.746 7.134 120 HZ3 LYS 19 3HZ LYS 19 -5.691 8.131 7.205 121 H GLY 20 H GLY 20 -1.205 12.599 6.986 122 HA2 GLY 20 1HA GLY 20 0.487 14.595 8.362 123 HA3 GLY 20 2HA GLY 20 0.104 14.702 6.650 124 H ALA 21 H ALA 21 -0.724 16.828 7.117 125 HA ALA 21 HA ALA 21 -2.774 17.414 8.902 126 HB1 ALA 21 1HB ALA 21 -1.921 19.334 8.048 127 HB2 ALA 21 2HB ALA 21 -1.725 18.659 6.429 128 HB3 ALA 21 3HB ALA 21 -3.317 19.180 6.981 129 H LYS 22 H LYS 22 -3.027 16.541 5.457 130 HA LYS 22 HA LYS 22 -5.876 15.945 5.899 131 HB2 LYS 22 1HB LYS 22 -4.956 17.650 4.090 132 HB3 LYS 22 2HB LYS 22 -4.721 16.178 3.156 133 HG2 LYS 22 1HG LYS 22 -6.944 15.826 2.887 134 HG3 LYS 22 2HG LYS 22 -7.361 16.550 4.442 135 HD2 LYS 22 1HD LYS 22 -6.245 18.330 2.342 136 HD3 LYS 22 2HD LYS 22 -7.898 17.749 2.131 137 HE2 LYS 22 1HE LYS 22 -8.195 18.509 4.600 138 HE3 LYS 22 2HE LYS 22 -6.753 19.475 4.291 139 HZ1 LYS 22 1HZ LYS 22 -9.419 19.995 3.536 140 HZ2 LYS 22 2HZ LYS 22 -8.466 19.872 2.144 141 HZ3 LYS 22 3HZ LYS 22 -8.056 20.980 3.354 142 H GLY 23 H GLY 23 -3.598 14.182 6.523 143 HA2 GLY 23 1HA GLY 23 -3.890 11.773 6.477 144 HA3 GLY 23 2HA GLY 23 -4.399 11.923 4.802 145 H PHE 24 H PHE 24 -2.747 10.172 4.600 146 HA PHE 24 HA PHE 24 -0.002 10.670 4.966 147 HB2 PHE 24 1HB PHE 24 -1.519 8.735 3.226 148 HB3 PHE 24 2HB PHE 24 0.241 8.795 3.227 149 HD1 PHE 24 1HD PHE 24 1.506 8.147 5.212 150 HD2 PHE 24 2HD PHE 24 -2.736 7.826 5.073 151 HE1 PHE 24 1HE PHE 24 1.556 6.669 7.179 152 HE2 PHE 24 2HE PHE 24 -2.693 6.349 7.040 153 HZ PHE 24 HZ PHE 24 -0.545 5.769 8.096 154 H GLY 25 H GLY 25 -2.176 11.976 2.751 155 HA2 GLY 25 1HA GLY 25 -1.827 13.528 1.079 156 HA3 GLY 25 2HA GLY 25 -0.104 13.425 1.407 157 H PHE 26 H PHE 26 -2.271 10.786 0.497 158 HA PHE 26 HA PHE 26 -1.247 10.737 -2.211 159 HB2 PHE 26 1HB PHE 26 0.000 8.808 -2.116 160 HB3 PHE 26 2HB PHE 26 0.331 9.455 -0.513 161 HD1 PHE 26 2HD PHE 26 -2.167 7.272 -2.222 162 HD2 PHE 26 1HD PHE 26 0.148 8.027 1.270 163 HE1 PHE 26 2HE PHE 26 -3.016 5.195 -1.214 164 HE2 PHE 26 1HE PHE 26 -0.697 5.949 2.282 165 HZ PHE 26 HZ PHE 26 -2.282 4.531 1.041 166 H SER 27 H SER 27 -2.539 9.592 -3.621 167 HA SER 27 HA SER 27 -4.942 8.350 -2.449 168 HB2 SER 27 1HB SER 27 -5.355 10.586 -3.530 169 HB3 SER 27 2HB SER 27 -4.848 9.874 -5.061 170 HG SER 27 HG SER 27 -6.551 8.300 -4.711 171 H ILE 28 H ILE 28 -5.986 6.729 -3.811 172 HA ILE 28 HA ILE 28 -4.049 5.342 -5.548 173 HB ILE 28 HB ILE 28 -5.694 3.334 -4.825 174 HG12 ILE 28 1HG1 ILE 28 -5.404 4.936 -2.286 175 HG13 ILE 28 2HG1 ILE 28 -6.863 4.994 -3.268 176 HG21 ILE 28 1HG2 ILE 28 -3.173 3.541 -4.722 177 HG22 ILE 28 2HG2 ILE 28 -3.386 4.158 -3.085 178 HG23 ILE 28 3HG2 ILE 28 -3.923 2.528 -3.490 179 HD11 ILE 28 1HD1 ILE 28 -5.719 2.667 -1.767 180 HD12 ILE 28 2HD1 ILE 28 -7.299 3.430 -1.585 181 HD13 ILE 28 3HD1 ILE 28 -6.942 2.471 -3.021 182 H ARG 29 H ARG 29 -5.181 3.747 -7.058 183 HA ARG 29 HA ARG 29 -7.817 4.633 -7.931 184 HB2 ARG 29 1HB ARG 29 -7.186 5.167 -10.143 185 HB3 ARG 29 2HB ARG 29 -6.024 5.997 -9.117 186 HG2 ARG 29 1HG ARG 29 -4.294 4.601 -9.711 187 HG3 ARG 29 2HG ARG 29 -5.376 3.286 -10.175 188 HD2 ARG 29 1HD ARG 29 -4.644 4.061 -12.225 189 HD3 ARG 29 2HD ARG 29 -6.165 4.930 -12.021 190 HE ARG 29 HE ARG 29 -4.062 6.478 -10.978 191 HH11 ARG 29 2HH1 ARG 29 -5.322 5.348 -14.020 192 HH12 ARG 29 1HH1 ARG 29 -4.719 6.699 -14.921 193 HH21 ARG 29 2HH2 ARG 29 -3.263 8.262 -12.153 194 HH22 ARG 29 1HH2 ARG 29 -3.547 8.356 -13.859 195 H GLY 30 H GLY 30 -8.665 3.217 -9.712 196 HA2 GLY 30 1HA GLY 30 -9.014 1.150 -10.684 197 HA3 GLY 30 2HA GLY 30 -7.412 0.671 -10.142 198 H GLY 31 H GLY 31 -8.674 -1.384 -9.797 199 HA2 GLY 31 1HA GLY 31 -8.810 -2.481 -7.507 200 HA3 GLY 31 2HA GLY 31 -10.095 -1.319 -7.212 201 H ARG 32 H ARG 32 -10.738 -3.875 -6.848 202 HA ARG 32 HA ARG 32 -11.550 -5.433 -8.975 203 HB2 ARG 32 1HB ARG 32 -12.453 -5.120 -6.158 204 HB3 ARG 32 2HB ARG 32 -13.506 -6.011 -7.248 205 HG2 ARG 32 1HG ARG 32 -10.592 -6.659 -6.906 206 HG3 ARG 32 2HG ARG 32 -11.865 -7.380 -5.919 207 HD2 ARG 32 1HD ARG 32 -11.772 -7.494 -8.930 208 HD3 ARG 32 2HD ARG 32 -11.176 -8.769 -7.868 209 HE ARG 32 HE ARG 32 -13.839 -8.169 -7.196 210 HH11 ARG 32 2HH1 ARG 32 -11.970 -9.652 -9.731 211 HH12 ARG 32 1HH1 ARG 32 -13.244 -10.716 -10.226 212 HH21 ARG 32 2HH2 ARG 32 -15.524 -9.566 -7.838 213 HH22 ARG 32 1HH2 ARG 32 -15.265 -10.666 -9.149 214 H GLU 33 H GLU 33 -12.967 -2.514 -7.729 215 HA GLU 33 HA GLU 33 -15.547 -2.749 -8.815 216 HB2 GLU 33 1HB GLU 33 -14.885 -1.049 -7.139 217 HB3 GLU 33 2HB GLU 33 -13.937 -0.229 -8.371 218 HG2 GLU 33 1HG GLU 33 -16.152 0.796 -7.933 219 HG3 GLU 33 2HG GLU 33 -15.890 0.330 -9.612 220 H TYR 34 H TYR 34 -12.516 -1.594 -10.187 221 HA TYR 34 HA TYR 34 -13.871 -1.168 -12.762 222 HB2 TYR 34 1HB TYR 34 -11.057 -0.296 -12.178 223 HB3 TYR 34 2HB TYR 34 -12.198 0.358 -13.348 224 HD1 TYR 34 1HD TYR 34 -14.081 1.786 -12.566 225 HD2 TYR 34 2HD TYR 34 -10.984 0.514 -9.941 226 HE1 TYR 34 1HE TYR 34 -14.727 3.538 -10.965 227 HE2 TYR 34 2HE TYR 34 -11.622 2.261 -8.332 228 HH TYR 34 HH TYR 34 -14.269 4.525 -9.031 229 H LYS 35 H LYS 35 -12.560 -3.636 -11.290 230 HA LYS 35 HA LYS 35 -11.476 -5.544 -11.893 231 HB2 LYS 35 1HB LYS 35 -12.259 -4.591 -14.654 232 HB3 LYS 35 2HB LYS 35 -11.660 -6.202 -14.284 233 HG2 LYS 35 1HG LYS 35 -14.132 -5.039 -13.031 234 HG3 LYS 35 2HG LYS 35 -14.148 -5.991 -14.517 235 HD2 LYS 35 1HD LYS 35 -12.844 -7.740 -13.116 236 HD3 LYS 35 2HD LYS 35 -13.465 -6.844 -11.728 237 HE2 LYS 35 1HE LYS 35 -15.282 -7.792 -13.919 238 HE3 LYS 35 2HE LYS 35 -14.818 -8.854 -12.591 239 HZ1 LYS 35 1HZ LYS 35 -16.891 -7.771 -12.093 240 HZ2 LYS 35 2HZ LYS 35 -16.211 -6.244 -12.346 241 HZ3 LYS 35 3HZ LYS 35 -15.700 -7.191 -11.041 242 H MET 36 H MET 36 -9.731 -3.579 -11.296 243 HA MET 36 HA MET 36 -7.474 -4.257 -12.987 244 HB2 MET 36 1HB MET 36 -6.776 -1.910 -13.272 245 HB3 MET 36 2HB MET 36 -8.302 -2.249 -14.077 246 HG2 MET 36 1HG MET 36 -9.367 -1.349 -11.896 247 HG3 MET 36 2HG MET 36 -7.780 -0.635 -11.623 248 HE1 MET 36 1HE MET 36 -7.415 2.231 -13.652 249 HE2 MET 36 2HE MET 36 -8.394 2.322 -12.187 250 HE3 MET 36 3HE MET 36 -7.021 1.216 -12.264 251 H ASP 37 H ASP 37 -5.404 -3.522 -12.031 252 HA ASP 37 HA ASP 37 -5.325 -4.112 -9.259 253 HB2 ASP 37 1HB ASP 37 -3.078 -2.818 -10.792 254 HB3 ASP 37 2HB ASP 37 -2.975 -3.931 -9.431 255 H LEU 38 H LEU 38 -4.103 -2.666 -7.692 256 HA LEU 38 HA LEU 38 -5.371 -0.037 -7.739 257 HB2 LEU 38 1HB LEU 38 -3.982 -1.591 -5.568 258 HB3 LEU 38 2HB LEU 38 -4.565 0.059 -5.360 259 HG LEU 38 HG LEU 38 -6.503 -2.014 -6.259 260 HD11 LEU 38 1HD1 LEU 38 -6.057 -1.698 -3.338 261 HD12 LEU 38 2HD1 LEU 38 -5.002 -2.788 -4.236 262 HD13 LEU 38 3HD1 LEU 38 -6.746 -3.048 -4.239 263 HD21 LEU 38 1HD2 LEU 38 -7.957 -0.653 -4.727 264 HD22 LEU 38 2HD2 LEU 38 -7.315 0.214 -6.123 265 HD23 LEU 38 3HD2 LEU 38 -6.594 0.449 -4.530 266 H TYR 39 H TYR 39 -4.282 1.686 -8.389 267 HA TYR 39 HA TYR 39 -1.349 1.691 -8.097 268 HB2 TYR 39 1HB TYR 39 -2.794 3.250 -10.224 269 HB3 TYR 39 2HB TYR 39 -1.100 2.777 -10.165 270 HD1 TYR 39 1HD TYR 39 -4.537 1.431 -10.578 271 HD2 TYR 39 2HD TYR 39 -0.375 0.793 -11.191 272 HE1 TYR 39 1HE TYR 39 -5.048 -0.542 -11.955 273 HE2 TYR 39 2HE TYR 39 -0.875 -1.182 -12.570 274 HH TYR 39 HH TYR 39 -2.579 -2.209 -13.766 275 H VAL 40 H VAL 40 -0.437 3.968 -8.125 276 HA VAL 40 HA VAL 40 -1.807 5.501 -6.098 277 HB VAL 40 HB VAL 40 0.841 5.927 -7.483 278 HG11 VAL 40 1HG1 VAL 40 1.169 7.554 -5.516 279 HG12 VAL 40 2HG1 VAL 40 0.213 8.093 -6.898 280 HG13 VAL 40 3HG1 VAL 40 -0.591 7.563 -5.420 281 HG21 VAL 40 1HG2 VAL 40 1.271 5.550 -4.788 282 HG22 VAL 40 2HG2 VAL 40 -0.037 4.424 -5.149 283 HG23 VAL 40 3HG2 VAL 40 1.477 4.334 -6.049 284 H LEU 41 H LEU 41 -3.564 6.528 -6.942 285 HA LEU 41 HA LEU 41 -3.919 7.642 -9.418 286 HB2 LEU 41 1HB LEU 41 -5.627 7.427 -7.613 287 HB3 LEU 41 2HB LEU 41 -4.920 8.846 -6.843 288 HG LEU 41 HG LEU 41 -6.927 9.462 -8.036 289 HD11 LEU 41 1HD1 LEU 41 -4.859 10.946 -8.013 290 HD12 LEU 41 2HD1 LEU 41 -6.096 11.308 -9.216 291 HD13 LEU 41 3HD1 LEU 41 -4.628 10.454 -9.691 292 HD21 LEU 41 1HD2 LEU 41 -7.067 7.718 -9.670 293 HD22 LEU 41 2HD2 LEU 41 -5.561 8.237 -10.427 294 HD23 LEU 41 3HD2 LEU 41 -6.994 9.262 -10.518 295 H ARG 42 H ARG 42 -3.035 9.561 -6.540 296 HA ARG 42 HA ARG 42 -1.137 11.089 -8.124 297 HB2 ARG 42 1HB ARG 42 -2.121 13.230 -7.698 298 HB3 ARG 42 2HB ARG 42 -3.359 12.209 -8.418 299 HG2 ARG 42 1HG ARG 42 -4.546 13.185 -6.732 300 HG3 ARG 42 2HG ARG 42 -3.975 11.728 -5.916 301 HD2 ARG 42 1HD ARG 42 -2.272 12.912 -4.786 302 HD3 ARG 42 2HD ARG 42 -2.470 14.328 -5.818 303 HE ARG 42 HE ARG 42 -3.981 13.677 -3.475 304 HH11 ARG 42 2HH1 ARG 42 -4.068 15.340 -6.532 305 HH12 ARG 42 1HH1 ARG 42 -5.300 16.453 -6.039 306 HH21 ARG 42 2HH2 ARG 42 -5.605 15.136 -2.815 307 HH22 ARG 42 1HH2 ARG 42 -6.173 16.337 -3.924 308 H LEU 43 H LEU 43 -0.233 12.937 -6.602 309 HA LEU 43 HA LEU 43 0.068 11.852 -3.885 310 HB2 LEU 43 1HB LEU 43 2.138 12.434 -5.916 311 HB3 LEU 43 2HB LEU 43 2.498 12.912 -4.259 312 HG LEU 43 HG LEU 43 1.814 10.117 -5.167 313 HD11 LEU 43 1HD1 LEU 43 3.943 10.359 -5.964 314 HD12 LEU 43 2HD1 LEU 43 4.286 9.863 -4.308 315 HD13 LEU 43 3HD1 LEU 43 4.380 11.566 -4.754 316 HD21 LEU 43 1HD2 LEU 43 1.105 10.248 -2.951 317 HD22 LEU 43 2HD2 LEU 43 2.421 11.330 -2.493 318 HD23 LEU 43 3HD2 LEU 43 2.752 9.628 -2.824 319 H ALA 44 H ALA 44 0.557 13.377 -2.256 320 HA ALA 44 HA ALA 44 -0.416 16.054 -2.870 321 HB1 ALA 44 1HB ALA 44 -0.031 14.489 -0.353 322 HB2 ALA 44 2HB ALA 44 -0.191 16.245 -0.289 323 HB3 ALA 44 3HB ALA 44 -1.485 15.267 -0.980 324 H GLU 45 H GLU 45 0.998 17.562 -3.443 325 HA GLU 45 HA GLU 45 3.763 17.386 -3.246 326 HB2 GLU 45 1HB GLU 45 3.697 19.909 -3.574 327 HB3 GLU 45 2HB GLU 45 2.887 18.936 -4.794 328 HG2 GLU 45 1HG GLU 45 1.279 19.939 -2.511 329 HG3 GLU 45 2HG GLU 45 1.772 21.085 -3.757 330 H ASP 46 H ASP 46 1.423 18.390 -0.902 331 HA ASP 46 HA ASP 46 3.585 19.249 0.904 332 HB2 ASP 46 1HB ASP 46 2.096 20.692 1.992 333 HB3 ASP 46 2HB ASP 46 1.659 20.858 0.294 334 H GLY 47 H GLY 47 2.513 16.491 0.277 335 HA2 GLY 47 1HA GLY 47 1.497 15.750 2.937 336 HA3 GLY 47 2HA GLY 47 1.370 14.765 1.487 337 HA PRO 48 HA PRO 48 5.138 13.665 4.194 338 HB2 PRO 48 1HB PRO 48 4.161 11.413 5.355 339 HB3 PRO 48 2HB PRO 48 4.005 13.016 6.085 340 HG2 PRO 48 1HG PRO 48 2.000 11.451 4.506 341 HG3 PRO 48 2HG PRO 48 1.766 12.395 5.989 342 HD2 PRO 48 1HD PRO 48 1.105 13.341 3.540 343 HD3 PRO 48 2HD PRO 48 1.672 14.396 4.850 344 H ALA 49 H ALA 49 2.903 11.953 2.135 345 HA ALA 49 HA ALA 49 4.529 9.686 1.610 346 HB1 ALA 49 1HB ALA 49 2.962 9.105 -0.032 347 HB2 ALA 49 2HB ALA 49 2.025 9.953 1.199 348 HB3 ALA 49 3HB ALA 49 2.480 10.782 -0.290 349 H ILE 50 H ILE 50 3.762 12.469 -0.494 350 HA ILE 50 HA ILE 50 5.580 11.954 -2.505 351 HB ILE 50 HB ILE 50 3.782 13.826 -2.297 352 HG12 ILE 50 1HG1 ILE 50 6.382 14.512 -3.673 353 HG13 ILE 50 2HG1 ILE 50 5.274 13.281 -4.268 354 HG21 ILE 50 1HG2 ILE 50 6.229 15.359 -1.435 355 HG22 ILE 50 2HG2 ILE 50 4.619 16.011 -1.735 356 HG23 ILE 50 3HG2 ILE 50 4.891 14.924 -0.373 357 HD11 ILE 50 1HD1 ILE 50 3.572 15.330 -4.033 358 HD12 ILE 50 2HD1 ILE 50 5.066 16.216 -4.340 359 HD13 ILE 50 3HD1 ILE 50 4.506 15.003 -5.492 360 H ARG 51 H ARG 51 6.205 12.905 0.712 361 HA ARG 51 HA ARG 51 8.818 14.031 0.136 362 HB2 ARG 51 1HB ARG 51 7.380 13.470 2.734 363 HB3 ARG 51 2HB ARG 51 8.985 14.182 2.635 364 HG2 ARG 51 1HG ARG 51 8.118 16.109 1.490 365 HG3 ARG 51 2HG ARG 51 6.514 15.378 1.401 366 HD2 ARG 51 1HD ARG 51 6.490 16.949 3.193 367 HD3 ARG 51 2HD ARG 51 6.488 15.334 3.901 368 HE ARG 51 HE ARG 51 9.126 16.046 3.792 369 HH11 ARG 51 2HH1 ARG 51 6.247 17.412 5.194 370 HH12 ARG 51 1HH1 ARG 51 7.087 18.166 6.508 371 HH21 ARG 51 2HH2 ARG 51 10.244 17.034 5.518 372 HH22 ARG 51 1HH2 ARG 51 9.361 17.951 6.691 373 H ASN 52 H ASN 52 7.412 11.016 1.165 374 HA ASN 52 HA ASN 52 9.684 9.796 2.271 375 HB2 ASN 52 1HB ASN 52 8.267 8.086 2.574 376 HB3 ASN 52 2HB ASN 52 7.040 9.057 1.766 377 HD21 ASN 52 1HD2 ASN 52 6.609 8.696 -0.424 378 HD22 ASN 52 2HD2 ASN 52 7.066 7.224 -1.205 379 H GLY 53 H GLY 53 8.315 9.328 -0.997 380 HA2 GLY 53 1HA GLY 53 9.741 9.516 -2.950 381 HA3 GLY 53 2HA GLY 53 11.071 8.918 -1.969 382 H ARG 54 H ARG 54 10.062 6.707 -0.783 383 HA ARG 54 HA ARG 54 10.477 4.629 -2.372 384 HB2 ARG 54 1HB ARG 54 8.165 4.728 -0.425 385 HB3 ARG 54 2HB ARG 54 8.952 3.271 -1.018 386 HG2 ARG 54 1HG ARG 54 10.489 5.384 0.445 387 HG3 ARG 54 2HG ARG 54 9.587 4.134 1.304 388 HD2 ARG 54 1HD ARG 54 10.856 2.407 0.136 389 HD3 ARG 54 2HD ARG 54 11.741 3.647 -0.751 390 HE ARG 54 HE ARG 54 13.059 3.974 1.091 391 HH11 ARG 54 2HH1 ARG 54 10.219 2.189 2.022 392 HH12 ARG 54 1HH1 ARG 54 10.790 1.865 3.625 393 HH21 ARG 54 2HH2 ARG 54 13.822 3.553 3.199 394 HH22 ARG 54 1HH2 ARG 54 12.839 2.642 4.294 395 H MET 55 H MET 55 7.079 5.578 -1.852 396 HA MET 55 HA MET 55 6.361 4.387 -4.400 397 HB2 MET 55 1HB MET 55 4.122 4.541 -3.702 398 HB3 MET 55 2HB MET 55 5.016 4.164 -2.235 399 HG2 MET 55 1HG MET 55 3.599 5.815 -1.513 400 HG3 MET 55 2HG MET 55 5.051 6.734 -1.902 401 HE1 MET 55 1HE MET 55 0.916 7.283 -3.542 402 HE2 MET 55 2HE MET 55 1.467 5.837 -2.696 403 HE3 MET 55 3HE MET 55 1.511 7.404 -1.886 404 H ARG 56 H ARG 56 4.626 5.687 -5.678 405 HA ARG 56 HA ARG 56 4.694 8.497 -5.703 406 HB2 ARG 56 1HB ARG 56 6.857 7.129 -7.145 407 HB3 ARG 56 2HB ARG 56 5.970 8.295 -8.118 408 HG2 ARG 56 1HG ARG 56 6.848 10.046 -7.041 409 HG3 ARG 56 2HG ARG 56 6.711 9.270 -5.462 410 HD2 ARG 56 1HD ARG 56 8.977 9.299 -5.638 411 HD3 ARG 56 2HD ARG 56 8.663 7.773 -6.462 412 HE ARG 56 HE ARG 56 9.365 8.723 -8.425 413 HH11 ARG 56 2HH1 ARG 56 8.801 11.226 -6.072 414 HH12 ARG 56 1HH1 ARG 56 9.490 12.480 -7.048 415 HH21 ARG 56 2HH2 ARG 56 10.276 10.365 -9.720 416 HH22 ARG 56 1HH2 ARG 56 10.328 11.989 -9.124 417 H VAL 57 H VAL 57 4.146 9.215 -8.187 418 HA VAL 57 HA VAL 57 1.669 7.840 -8.736 419 HB VAL 57 HB VAL 57 2.893 10.150 -10.249 420 HG11 VAL 57 1HG1 VAL 57 0.120 10.314 -10.300 421 HG12 VAL 57 2HG1 VAL 57 1.174 9.813 -11.623 422 HG13 VAL 57 3HG1 VAL 57 0.467 8.604 -10.550 423 HG21 VAL 57 1HG2 VAL 57 2.542 10.497 -7.752 424 HG22 VAL 57 2HG2 VAL 57 1.757 11.649 -8.833 425 HG23 VAL 57 3HG2 VAL 57 0.815 10.359 -8.086 426 H GLY 58 H GLY 58 1.325 6.343 -10.250 427 HA2 GLY 58 1HA GLY 58 1.620 5.603 -12.548 428 HA3 GLY 58 2HA GLY 58 3.308 6.077 -12.421 429 H ASP 59 H ASP 59 2.882 4.787 -9.543 430 HA ASP 59 HA ASP 59 4.019 2.248 -10.334 431 HB2 ASP 59 1HB ASP 59 3.447 3.423 -7.605 432 HB3 ASP 59 2HB ASP 59 4.275 1.893 -7.882 433 H GLN 60 H GLN 60 3.250 0.249 -9.107 434 HA GLN 60 HA GLN 60 0.305 0.196 -9.048 435 HB2 GLN 60 1HB GLN 60 1.370 -0.916 -11.060 436 HB3 GLN 60 2HB GLN 60 2.052 -2.094 -9.947 437 HG2 GLN 60 1HG GLN 60 -0.872 -1.614 -9.835 438 HG3 GLN 60 2HG GLN 60 -0.229 -2.505 -11.214 439 HE21 GLN 60 1HE2 GLN 60 -1.419 -2.781 -8.148 440 HE22 GLN 60 2HE2 GLN 60 -0.809 -4.346 -7.748 441 H ILE 61 H ILE 61 -0.372 -0.155 -7.046 442 HA ILE 61 HA ILE 61 1.325 -1.395 -5.074 443 HB ILE 61 HB ILE 61 -1.573 -0.660 -4.711 444 HG12 ILE 61 1HG1 ILE 61 0.629 1.221 -3.977 445 HG13 ILE 61 2HG1 ILE 61 0.103 1.160 -5.656 446 HG21 ILE 61 1HG2 ILE 61 -0.584 -0.168 -2.364 447 HG22 ILE 61 2HG2 ILE 61 -0.899 -1.837 -2.838 448 HG23 ILE 61 3HG2 ILE 61 0.743 -1.198 -2.900 449 HD11 ILE 61 1HD1 ILE 61 -1.914 1.482 -3.486 450 HD12 ILE 61 2HD1 ILE 61 -0.960 2.865 -4.022 451 HD13 ILE 61 3HD1 ILE 61 -1.980 1.999 -5.170 452 H ILE 62 H ILE 62 1.380 -3.480 -4.569 453 HA ILE 62 HA ILE 62 -0.733 -5.231 -5.616 454 HB ILE 62 HB ILE 62 1.118 -6.990 -4.818 455 HG12 ILE 62 1HG1 ILE 62 2.524 -4.947 -4.070 456 HG13 ILE 62 2HG1 ILE 62 3.325 -6.229 -4.972 457 HG21 ILE 62 1HG2 ILE 62 0.577 -7.284 -6.989 458 HG22 ILE 62 2HG2 ILE 62 0.603 -5.556 -7.341 459 HG23 ILE 62 3HG2 ILE 62 2.114 -6.463 -7.262 460 HD11 ILE 62 1HD1 ILE 62 3.902 -4.827 -6.584 461 HD12 ILE 62 2HD1 ILE 62 2.253 -4.220 -6.739 462 HD13 ILE 62 3HD1 ILE 62 3.342 -3.519 -5.542 463 H GLU 63 H GLU 63 0.860 -4.198 -2.692 464 HA GLU 63 HA GLU 63 -1.123 -5.704 -1.140 465 HB2 GLU 63 1HB GLU 63 1.006 -6.945 -1.062 466 HB3 GLU 63 2HB GLU 63 1.814 -5.509 -0.450 467 HG2 GLU 63 1HG GLU 63 0.003 -5.652 1.427 468 HG3 GLU 63 2HG GLU 63 -0.098 -7.336 0.915 469 H ILE 64 H ILE 64 -1.700 -4.768 0.859 470 HA ILE 64 HA ILE 64 -0.671 -2.070 1.380 471 HB ILE 64 HB ILE 64 -3.589 -2.800 1.133 472 HG12 ILE 64 1HG1 ILE 64 -2.013 -0.634 -0.266 473 HG13 ILE 64 2HG1 ILE 64 -2.279 -2.234 -0.952 474 HG21 ILE 64 1HG2 ILE 64 -2.417 -0.986 2.926 475 HG22 ILE 64 2HG2 ILE 64 -3.124 -0.017 1.635 476 HG23 ILE 64 3HG2 ILE 64 -4.126 -1.159 2.529 477 HD11 ILE 64 1HD1 ILE 64 -4.798 -1.639 -0.482 478 HD12 ILE 64 2HD1 ILE 64 -4.178 0.010 -0.571 479 HD13 ILE 64 3HD1 ILE 64 -3.972 -1.084 -1.938 480 H ASN 65 H ASN 65 -0.120 -1.843 3.440 481 HA ASN 65 HA ASN 65 0.170 -2.307 5.654 482 HB2 ASN 65 1HB ASN 65 -2.778 -2.293 5.216 483 HB3 ASN 65 2HB ASN 65 -2.186 -2.852 6.778 484 HD21 ASN 65 1HD2 ASN 65 -3.750 -0.633 6.617 485 HD22 ASN 65 2HD2 ASN 65 -2.816 0.774 6.980 486 H GLY 66 H GLY 66 0.885 -4.453 4.144 487 HA2 GLY 66 1HA GLY 66 1.324 -6.701 4.300 488 HA3 GLY 66 2HA GLY 66 0.814 -6.573 5.976 489 H GLU 67 H GLU 67 -1.265 -5.834 3.251 490 HA GLU 67 HA GLU 67 -2.729 -8.342 3.707 491 HB2 GLU 67 1HB GLU 67 -4.104 -5.689 3.297 492 HB3 GLU 67 2HB GLU 67 -4.836 -7.224 3.744 493 HG2 GLU 67 1HG GLU 67 -3.304 -7.035 5.837 494 HG3 GLU 67 2HG GLU 67 -3.254 -5.325 5.410 495 H SER 68 H SER 68 -2.522 -9.408 1.848 496 HA SER 68 HA SER 68 -1.870 -8.474 -0.630 497 HB2 SER 68 1HB SER 68 -3.085 -10.515 -1.530 498 HB3 SER 68 2HB SER 68 -1.901 -10.833 -0.262 499 HG SER 68 HG SER 68 -3.534 -11.120 1.191 500 H THR 69 H THR 69 -2.773 -7.011 -1.900 501 HA THR 69 HA THR 69 -5.501 -6.187 -1.573 502 HB THR 69 HB THR 69 -5.065 -4.537 -3.262 503 HG1 THR 69 1HG THR 69 -2.916 -4.643 -4.324 504 HG21 THR 69 1HG2 THR 69 -2.478 -4.065 -2.332 505 HG22 THR 69 2HG2 THR 69 -3.271 -4.955 -1.032 506 HG23 THR 69 3HG2 THR 69 -3.980 -3.457 -1.637 507 H ARG 70 H ARG 70 -5.688 -8.797 -2.159 508 HA ARG 70 HA ARG 70 -6.317 -8.983 -5.019 509 HB2 ARG 70 1HB ARG 70 -6.416 -11.410 -4.656 510 HB3 ARG 70 2HB ARG 70 -4.870 -10.744 -4.146 511 HG2 ARG 70 1HG ARG 70 -5.640 -10.784 -1.814 512 HG3 ARG 70 2HG ARG 70 -7.162 -11.502 -2.346 513 HD2 ARG 70 1HD ARG 70 -5.683 -13.231 -1.528 514 HD3 ARG 70 2HD ARG 70 -5.908 -13.412 -3.268 515 HE ARG 70 HE ARG 70 -3.647 -11.924 -3.063 516 HH11 ARG 70 2HH1 ARG 70 -4.675 -14.964 -1.712 517 HH12 ARG 70 1HH1 ARG 70 -3.073 -15.620 -1.636 518 HH21 ARG 70 2HH2 ARG 70 -1.534 -12.776 -2.967 519 HH22 ARG 70 1HH2 ARG 70 -1.287 -14.375 -2.349 520 H ASP 71 H ASP 71 -8.356 -9.176 -5.741 521 HA ASP 71 HA ASP 71 -10.631 -9.183 -5.764 522 HB2 ASP 71 1HB ASP 71 -10.241 -11.437 -4.726 523 HB3 ASP 71 2HB ASP 71 -10.431 -10.682 -3.146 524 H MET 72 H MET 72 -9.099 -7.071 -4.331 525 HA MET 72 HA MET 72 -11.105 -6.193 -2.375 526 HB2 MET 72 1HB MET 72 -8.417 -4.926 -2.881 527 HB3 MET 72 2HB MET 72 -9.461 -4.722 -1.480 528 HG2 MET 72 1HG MET 72 -9.084 -7.325 -1.266 529 HG3 MET 72 2HG MET 72 -7.625 -6.944 -2.176 530 HE1 MET 72 1HE MET 72 -6.795 -4.400 -1.574 531 HE2 MET 72 2HE MET 72 -7.638 -3.631 -0.230 532 HE3 MET 72 3HE MET 72 -5.991 -4.223 -0.015 533 H THR 73 H THR 73 -12.061 -4.152 -2.514 534 HA THR 73 HA THR 73 -12.103 -3.041 -5.228 535 HB THR 73 HB THR 73 -14.186 -1.884 -4.488 536 HG1 THR 73 1HG THR 73 -14.123 -1.772 -2.319 537 HG21 THR 73 1HG2 THR 73 -14.941 -3.712 -5.563 538 HG22 THR 73 2HG2 THR 73 -15.320 -4.310 -3.948 539 HG23 THR 73 3HG2 THR 73 -13.813 -4.782 -4.731 540 H HIS 74 H HIS 74 -11.758 -0.877 -5.646 541 HA HIS 74 HA HIS 74 -9.817 0.536 -4.492 542 HB2 HIS 74 1HB HIS 74 -11.238 1.190 -6.506 543 HB3 HIS 74 2HB HIS 74 -12.337 1.951 -5.359 544 HD1 HIS 74 1HD HIS 74 -11.589 4.112 -6.866 545 HD2 HIS 74 2HD HIS 74 -8.766 2.544 -4.252 546 HE1 HIS 74 1HE HIS 74 -9.870 5.923 -6.567 547 HE2 HIS 74 2HE HIS 74 -8.128 4.921 -5.049 548 H ALA 75 H ALA 75 -13.140 0.430 -3.320 549 HA ALA 75 HA ALA 75 -12.965 2.422 -1.363 550 HB1 ALA 75 1HB ALA 75 -14.620 0.007 -0.840 551 HB2 ALA 75 2HB ALA 75 -15.019 1.715 -0.650 552 HB3 ALA 75 3HB ALA 75 -14.989 0.989 -2.257 553 H ARG 76 H ARG 76 -12.426 -1.087 -1.096 554 HA ARG 76 HA ARG 76 -11.853 -1.210 1.617 555 HB2 ARG 76 1HB ARG 76 -12.137 -3.256 0.468 556 HB3 ARG 76 2HB ARG 76 -10.900 -2.855 -0.716 557 HG2 ARG 76 1HG ARG 76 -10.138 -4.559 0.854 558 HG3 ARG 76 2HG ARG 76 -9.173 -3.086 0.972 559 HD2 ARG 76 1HD ARG 76 -9.997 -2.550 3.041 560 HD3 ARG 76 2HD ARG 76 -11.529 -3.378 2.764 561 HE ARG 76 HE ARG 76 -9.243 -5.125 2.952 562 HH11 ARG 76 2HH1 ARG 76 -11.779 -3.489 4.686 563 HH12 ARG 76 1HH1 ARG 76 -11.747 -4.584 6.028 564 HH21 ARG 76 2HH2 ARG 76 -9.190 -6.574 4.713 565 HH22 ARG 76 1HH2 ARG 76 -10.273 -6.338 6.043 566 H ALA 77 H ALA 77 -9.435 -1.147 -1.010 567 HA ALA 77 HA ALA 77 -7.153 -0.849 0.455 568 HB1 ALA 77 1HB ALA 77 -6.100 -0.042 -1.470 569 HB2 ALA 77 2HB ALA 77 -7.443 -1.008 -2.082 570 HB3 ALA 77 3HB ALA 77 -7.565 0.751 -2.050 571 H ILE 78 H ILE 78 -9.587 1.576 -0.200 572 HA ILE 78 HA ILE 78 -8.045 3.807 0.687 573 HB ILE 78 HB ILE 78 -11.018 3.452 0.325 574 HG12 ILE 78 1HG1 ILE 78 -9.335 3.492 -1.652 575 HG13 ILE 78 2HG1 ILE 78 -10.763 4.517 -1.737 576 HG21 ILE 78 1HG2 ILE 78 -9.506 5.990 0.932 577 HG22 ILE 78 2HG2 ILE 78 -11.231 5.858 0.594 578 HG23 ILE 78 3HG2 ILE 78 -10.562 5.131 2.054 579 HD11 ILE 78 1HD1 ILE 78 -8.657 5.608 -2.470 580 HD12 ILE 78 2HD1 ILE 78 -9.490 6.448 -1.162 581 HD13 ILE 78 3HD1 ILE 78 -8.065 5.469 -0.815 582 H GLU 79 H GLU 79 -10.170 1.496 2.230 583 HA GLU 79 HA GLU 79 -10.288 2.971 4.711 584 HB2 GLU 79 1HB GLU 79 -11.887 1.487 5.359 585 HB3 GLU 79 2HB GLU 79 -11.986 1.214 3.625 586 HG2 GLU 79 1HG GLU 79 -10.535 -0.723 3.828 587 HG3 GLU 79 2HG GLU 79 -10.380 -0.440 5.560 588 H LEU 80 H LEU 80 -8.287 0.559 3.270 589 HA LEU 80 HA LEU 80 -7.211 -0.544 5.660 590 HB2 LEU 80 1HB LEU 80 -6.208 -0.473 2.824 591 HB3 LEU 80 2HB LEU 80 -5.367 -1.315 4.124 592 HG LEU 80 HG LEU 80 -8.096 -1.954 3.012 593 HD11 LEU 80 1HD1 LEU 80 -7.143 -3.859 2.090 594 HD12 LEU 80 2HD1 LEU 80 -5.715 -3.765 3.119 595 HD13 LEU 80 3HD1 LEU 80 -5.925 -2.619 1.795 596 HD21 LEU 80 1HD2 LEU 80 -6.609 -3.179 5.332 597 HD22 LEU 80 2HD2 LEU 80 -8.055 -3.858 4.584 598 HD23 LEU 80 3HD2 LEU 80 -8.135 -2.297 5.401 599 H ILE 81 H ILE 81 -6.224 2.077 3.505 600 HA ILE 81 HA ILE 81 -3.728 2.616 4.666 601 HB ILE 81 HB ILE 81 -5.573 4.633 3.385 602 HG12 ILE 81 1HG1 ILE 81 -3.401 3.152 1.937 603 HG13 ILE 81 2HG1 ILE 81 -4.997 2.430 2.107 604 HG21 ILE 81 1HG2 ILE 81 -3.390 5.698 2.749 605 HG22 ILE 81 2HG2 ILE 81 -3.766 5.731 4.471 606 HG23 ILE 81 3HG2 ILE 81 -2.599 4.566 3.846 607 HD11 ILE 81 1HD1 ILE 81 -4.768 5.203 1.055 608 HD12 ILE 81 2HD1 ILE 81 -4.389 3.839 0.003 609 HD13 ILE 81 3HD1 ILE 81 -5.988 3.970 0.735 610 H LYS 82 H LYS 82 -6.970 3.493 5.611 611 HA LYS 82 HA LYS 82 -5.960 5.282 7.696 612 HB2 LYS 82 1HB LYS 82 -8.511 5.571 8.085 613 HB3 LYS 82 2HB LYS 82 -7.775 6.306 6.667 614 HG2 LYS 82 1HG LYS 82 -8.554 4.474 5.281 615 HG3 LYS 82 2HG LYS 82 -9.243 3.677 6.697 616 HD2 LYS 82 1HD LYS 82 -10.990 4.828 5.487 617 HD3 LYS 82 2HD LYS 82 -10.718 5.633 7.034 618 HE2 LYS 82 1HE LYS 82 -9.569 7.421 6.014 619 HE3 LYS 82 2HE LYS 82 -9.389 6.543 4.496 620 HZ1 LYS 82 1HZ LYS 82 -12.127 6.887 5.292 621 HZ2 LYS 82 2HZ LYS 82 -11.386 7.204 3.805 622 HZ3 LYS 82 3HZ LYS 82 -11.325 8.356 5.042 623 H SER 83 H SER 83 -6.994 2.074 7.246 624 HA SER 83 HA SER 83 -8.016 1.620 9.884 625 HB2 SER 83 1HB SER 83 -8.771 0.182 8.098 626 HB3 SER 83 2HB SER 83 -7.114 -0.284 7.711 627 HG SER 83 HG SER 83 -8.790 -1.347 9.523 628 H GLY 84 H GLY 84 -4.889 1.478 8.346 629 HA2 GLY 84 1HA GLY 84 -3.585 -0.080 10.343 630 HA3 GLY 84 2HA GLY 84 -2.799 0.931 9.140 631 H GLY 85 H GLY 85 -3.818 3.424 9.783 632 HA2 GLY 85 1HA GLY 85 -4.096 4.618 12.027 633 HA3 GLY 85 2HA GLY 85 -2.571 3.839 12.423 634 H ARG 86 H ARG 86 -1.505 5.801 12.735 635 HA ARG 86 HA ARG 86 -1.482 7.882 10.803 636 HB2 ARG 86 1HB ARG 86 -0.045 7.262 13.315 637 HB3 ARG 86 2HB ARG 86 0.797 8.320 12.190 638 HG2 ARG 86 1HG ARG 86 -0.837 9.971 12.327 639 HG3 ARG 86 2HG ARG 86 -2.038 8.857 12.985 640 HD2 ARG 86 1HD ARG 86 0.454 9.314 14.540 641 HD3 ARG 86 2HD ARG 86 -0.752 10.600 14.511 642 HE ARG 86 HE ARG 86 -0.923 8.113 15.908 643 HH11 ARG 86 2HH1 ARG 86 -2.789 10.595 14.334 644 HH12 ARG 86 1HH1 ARG 86 -4.223 10.284 15.255 645 HH21 ARG 86 2HH2 ARG 86 -2.804 7.693 17.127 646 HH22 ARG 86 1HH2 ARG 86 -4.230 8.633 16.844 647 H ARG 87 H ARG 87 0.367 4.969 11.238 648 HA ARG 87 HA ARG 87 2.152 5.764 9.037 649 HB2 ARG 87 1HB ARG 87 2.558 3.503 10.998 650 HB3 ARG 87 2HB ARG 87 3.724 4.123 9.837 651 HG2 ARG 87 1HG ARG 87 4.032 6.114 11.052 652 HG3 ARG 87 2HG ARG 87 2.602 5.821 12.043 653 HD2 ARG 87 1HD ARG 87 3.682 3.953 13.123 654 HD3 ARG 87 2HD ARG 87 5.077 4.099 12.054 655 HE ARG 87 HE ARG 87 4.571 6.494 13.531 656 HH11 ARG 87 2HH1 ARG 87 6.030 3.337 13.687 657 HH12 ARG 87 1HH1 ARG 87 7.165 3.778 14.918 658 HH21 ARG 87 2HH2 ARG 87 6.061 7.088 15.153 659 HH22 ARG 87 1HH2 ARG 87 7.182 5.912 15.753 660 H VAL 88 H VAL 88 1.914 4.807 7.127 661 HA VAL 88 HA VAL 88 0.404 2.277 7.008 662 HB VAL 88 HB VAL 88 -0.928 4.068 6.059 663 HG11 VAL 88 1HG1 VAL 88 -0.155 5.704 4.728 664 HG12 VAL 88 2HG1 VAL 88 1.429 5.213 5.332 665 HG13 VAL 88 3HG1 VAL 88 0.845 4.601 3.784 666 HG21 VAL 88 1HG2 VAL 88 -1.020 3.191 3.640 667 HG22 VAL 88 2HG2 VAL 88 0.242 2.071 4.152 668 HG23 VAL 88 3HG2 VAL 88 -1.329 2.054 4.953 669 H ARG 89 H ARG 89 1.250 0.627 5.852 670 HA ARG 89 HA ARG 89 3.662 1.157 4.252 671 HB2 ARG 89 1HB ARG 89 4.535 0.262 6.262 672 HB3 ARG 89 2HB ARG 89 3.259 -0.943 6.371 673 HG2 ARG 89 1HG ARG 89 4.234 -1.885 4.194 674 HG3 ARG 89 2HG ARG 89 5.647 -0.897 4.569 675 HD2 ARG 89 1HD ARG 89 5.821 -2.013 6.754 676 HD3 ARG 89 2HD ARG 89 4.437 -3.022 6.335 677 HE ARG 89 HE ARG 89 6.497 -3.217 4.384 678 HH11 ARG 89 2HH1 ARG 89 5.565 -4.291 7.561 679 HH12 ARG 89 1HH1 ARG 89 6.483 -5.758 7.477 680 HH21 ARG 89 2HH2 ARG 89 7.710 -5.145 4.261 681 HH22 ARG 89 1HH2 ARG 89 7.703 -6.242 5.600 682 H LEU 90 H LEU 90 3.187 0.651 2.222 683 HA LEU 90 HA LEU 90 1.621 -1.794 1.719 684 HB2 LEU 90 1HB LEU 90 1.130 -0.426 -0.510 685 HB3 LEU 90 2HB LEU 90 0.115 -0.311 0.927 686 HG LEU 90 HG LEU 90 2.351 1.628 0.656 687 HD11 LEU 90 1HD1 LEU 90 0.684 1.253 -1.502 688 HD12 LEU 90 2HD1 LEU 90 1.588 2.720 -1.128 689 HD13 LEU 90 3HD1 LEU 90 -0.091 2.564 -0.611 690 HD21 LEU 90 1HD2 LEU 90 -0.110 1.304 2.147 691 HD22 LEU 90 2HD2 LEU 90 -0.016 2.885 1.371 692 HD23 LEU 90 3HD2 LEU 90 1.269 2.358 2.459 693 H LEU 91 H LEU 91 2.208 -3.047 -0.077 694 HA LEU 91 HA LEU 91 5.007 -2.817 -0.798 695 HB2 LEU 91 1HB LEU 91 3.710 -4.963 -0.167 696 HB3 LEU 91 2HB LEU 91 3.127 -4.909 -1.829 697 HG LEU 91 HG LEU 91 5.973 -5.245 -0.896 698 HD11 LEU 91 1HD1 LEU 91 3.930 -7.015 -2.177 699 HD12 LEU 91 2HD1 LEU 91 4.962 -7.326 -0.782 700 HD13 LEU 91 3HD1 LEU 91 5.653 -7.317 -2.404 701 HD21 LEU 91 1HD2 LEU 91 6.628 -5.278 -3.214 702 HD22 LEU 91 2HD2 LEU 91 5.832 -3.745 -2.858 703 HD23 LEU 91 3HD2 LEU 91 4.962 -5.010 -3.727 704 H LEU 92 H LEU 92 5.459 -1.409 -2.372 705 HA LEU 92 HA LEU 92 3.765 -1.433 -4.783 706 HB2 LEU 92 1HB LEU 92 3.926 0.695 -3.381 707 HB3 LEU 92 2HB LEU 92 5.584 0.814 -3.966 708 HG LEU 92 HG LEU 92 4.433 0.663 -6.321 709 HD11 LEU 92 1HD1 LEU 92 2.184 0.397 -4.909 710 HD12 LEU 92 2HD1 LEU 92 2.235 1.176 -6.490 711 HD13 LEU 92 3HD1 LEU 92 2.234 2.156 -5.024 712 HD21 LEU 92 1HD2 LEU 92 3.876 3.307 -5.663 713 HD22 LEU 92 2HD2 LEU 92 5.397 2.666 -6.285 714 HD23 LEU 92 3HD2 LEU 92 5.151 2.824 -4.545 715 H LYS 93 H LYS 93 4.791 -1.298 -6.822 716 HA LYS 93 HA LYS 93 7.626 -2.105 -6.794 717 HB2 LYS 93 1HB LYS 93 7.099 -3.312 -8.937 718 HB3 LYS 93 2HB LYS 93 6.340 -3.986 -7.502 719 HG2 LYS 93 1HG LYS 93 4.292 -2.612 -8.143 720 HG3 LYS 93 2HG LYS 93 5.080 -2.394 -9.708 721 HD2 LYS 93 1HD LYS 93 4.883 -5.154 -8.623 722 HD3 LYS 93 2HD LYS 93 3.410 -4.403 -9.241 723 HE2 LYS 93 1HE LYS 93 5.917 -4.321 -10.865 724 HE3 LYS 93 2HE LYS 93 4.945 -5.792 -10.831 725 HZ1 LYS 93 1HZ LYS 93 3.274 -4.826 -11.981 726 HZ2 LYS 93 2HZ LYS 93 4.531 -3.861 -12.571 727 HZ3 LYS 93 3HZ LYS 93 3.538 -3.287 -11.329 728 H ARG 94 H ARG 94 9.007 -0.874 -7.903 729 HA ARG 94 HA ARG 94 7.896 1.256 -9.593 730 HB2 ARG 94 1HB ARG 94 10.300 1.018 -7.860 731 HB3 ARG 94 2HB ARG 94 10.451 2.004 -9.309 732 HG2 ARG 94 1HG ARG 94 8.177 2.412 -7.408 733 HG3 ARG 94 2HG ARG 94 9.760 3.133 -7.109 734 HD2 ARG 94 1HD ARG 94 8.371 3.468 -9.745 735 HD3 ARG 94 2HD ARG 94 7.992 4.514 -8.377 736 HE ARG 94 HE ARG 94 10.260 4.694 -10.053 737 HH11 ARG 94 2HH1 ARG 94 9.295 4.993 -6.721 738 HH12 ARG 94 1HH1 ARG 94 10.553 6.114 -6.321 739 HH21 ARG 94 2HH2 ARG 94 11.921 6.170 -9.539 740 HH22 ARG 94 1HH2 ARG 94 12.046 6.784 -7.925 741 H GLY 95 H GLY 95 9.175 1.882 -11.515 742 HA2 GLY 95 1HA GLY 95 10.666 1.364 -13.280 743 HA3 GLY 95 2HA GLY 95 10.785 -0.278 -12.664 744 H THR 96 H THR 96 7.863 -0.534 -12.405 745 HA THR 96 HA THR 96 7.348 -1.434 -15.088 746 HB THR 96 HB THR 96 6.412 -2.934 -13.632 747 HG1 THR 96 1HG THR 96 4.042 -2.246 -13.436 748 HG21 THR 96 1HG2 THR 96 6.031 -0.563 -11.883 749 HG22 THR 96 2HG2 THR 96 6.690 -2.154 -11.504 750 HG23 THR 96 3HG2 THR 96 4.947 -1.933 -11.647 751 H GLY 97 H GLY 97 6.543 1.335 -13.168 752 HA2 GLY 97 1HA GLY 97 4.492 2.164 -15.104 753 HA3 GLY 97 2HA GLY 97 4.747 2.872 -13.515 754 H SER 98 H SER 98 4.809 3.748 -16.532 755 HA SER 98 HA SER 98 7.431 4.993 -16.649 756 HB2 SER 98 1HB SER 98 6.585 5.888 -18.845 757 HB3 SER 98 2HB SER 98 6.590 4.128 -18.731 758 HG SER 98 HG SER 98 4.629 4.980 -19.603 759 H GLY 99 H GLY 99 7.745 7.269 -16.850 760 HA2 GLY 99 1HA GLY 99 5.601 9.108 -16.365 761 HA3 GLY 99 2HA GLY 99 6.578 8.840 -14.929 762 HA PRO 100 HA PRO 100 9.126 11.124 -18.412 763 HB2 PRO 100 1HB PRO 100 7.585 12.888 -19.785 764 HB3 PRO 100 2HB PRO 100 7.873 11.233 -20.335 765 HG2 PRO 100 1HG PRO 100 5.509 12.363 -18.886 766 HG3 PRO 100 2HG PRO 100 5.549 11.234 -20.253 767 HD2 PRO 100 1HD PRO 100 5.151 10.420 -17.702 768 HD3 PRO 100 2HD PRO 100 5.992 9.419 -18.904 769 H SER 101 H SER 101 10.215 12.895 -17.751 770 HA SER 101 HA SER 101 8.835 15.142 -16.549 771 HB2 SER 101 1HB SER 101 10.049 15.051 -14.436 772 HB3 SER 101 2HB SER 101 9.125 13.565 -14.656 773 HG SER 101 HG SER 101 11.302 13.213 -13.947 774 H SER 102 H SER 102 10.319 16.939 -16.065 775 HA SER 102 HA SER 102 11.964 18.390 -16.667 776 HB2 SER 102 1HB SER 102 13.450 16.748 -15.593 777 HB3 SER 102 2HB SER 102 13.576 15.865 -17.114 778 HG SER 102 HG SER 102 15.303 17.149 -17.188 779 H GLY 103 H GLY 103 10.133 18.066 -18.584 780 HA2 GLY 103 1HA GLY 103 11.755 18.147 -21.042 781 HA3 GLY 103 2HA GLY 103 10.256 17.231 -21.008
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